SCHEMBL18474438

SCHEMBL18474438

Bc1cc(F)cc(OCCN2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.55
▸ HRH3 Q9Y5N1 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BACE1 P56817 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18474533 0.82 KDM4E (0.63) LTA4HHRH3MEN1LMNAHTT
SCHEMBL18480195 0.81 LTA4H (0.55) LTA4HHRH3MEN1LMNAHTT
SCHEMBL17571469 0.81 KDM4E (0.56) LTA4HHRH3MEN1LMNAHTT
SCHEMBL17555438 0.81 LTA4H (0.55) LTA4HHRH3MEN1LMNAHTT
SCHEMBL17562439 0.78 KDM4E (0.63) LTA4HMEN1LMNAHTTKMT2A
SCHEMBL18483417 0.76 LTA4H (0.66) LTA4HLMNAHTTMCHR1KDM4E
SCHEMBL18474493 0.75 CHRNB2 (0.57) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL13896856 0.75 PSMB1 (0.67) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL13731108 0.75 HRH3 (0.51) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL13698801 0.73 LTA4H (0.87) LTA4HHRH3MEN1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023975-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024004-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024025-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF KC SUNIL KUMAR (US) 2017-02-09 — — WO disclosed
WO-2017024013-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024026-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
WO-2017024015-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023996-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023972-A1 3-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023988-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024003-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023993-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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