SCHEMBL25590486

SCHEMBL25590486

Cc1ccc(-c2ccc3nc[nH]c3c2)nc1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ POLB P06746 3/20 0.48
▸ HTT P42858 1/20 0.47
▸ KDR P35968 2/20 0.45
▸ EPHB4 P54760 2/20 0.45
▸ TEK Q02763 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ QPCT Q16769 4/20 0.45
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 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
SCHEMBL25590495 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL25591687 0.85 MAPT (0.62) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL25591775 0.82 MAOB (0.62) RAB9ANPC1SMN1; SMN2PDGFRBKMT2A
SCHEMBL25591688 0.81 KDR (0.45) RAB9ANPC1SMN1; SMN2POLBKDR
SCHEMBL25590666 0.80 MAOB (0.53) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL25590669 0.79 TP53 (0.44) RAB9ANPC1SMN1; SMN2POLBTEK
SCHEMBL25590481 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL25590563 0.77 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL25590671 0.76 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL25590497 0.75 LRRK2 (0.45) RAB9ANPC1SMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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