SCHEMBL18477080

SCHEMBL18477080

CC(C)(C)OC(=O)n1c(BO)cc2c(N3CCCCC3)cncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.39
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ BRPF1 P55201 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GPR119 Q8TDV5 5/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ MAP4K2 Q12851 1/20 0.32
▸ CAMK2B Q13554 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL18447717 0.82 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5BRPF1
SCHEMBL18485086 0.78 KDM4E (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18479999 0.77 CHKA (0.37) GABRG2GABRB3GABRA5GABRA1GABRA6
SCHEMBL18477081 0.76 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL20463563 0.75 CYP11B2 (0.38) CYP11B2GABRG2GABRB3GABRA5GABRA1
SCHEMBL18483132 0.75 CYP11B2 (0.41) CYP11B2GABRG2GABRB3GABRA5GABRA1
SCHEMBL18476349 0.74 CSNK1D (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18482579 0.74 GPR119 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18486749 0.73 CHRM2 (0.39) GPR119HTTALDH1A1LMNA
SCHEMBL18441912 0.72 CYP11B2 (0.39) CYP11B2GABRG2GABRB3GABRA5GABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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