SCHEMBL25082159

SCHEMBL25082159

Cc1nc(-c2ccc(N3CCO[C@@H](C)C3)nc2)nc2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.45
▸ MAP3K7 O43318 2/20 0.43
▸ WNT3A P56704 1/20 0.42
▸ TDO2 P48775 1/20 0.41
▸ AOC3 Q16853 1/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ ACVR1 Q04771 2/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ GAK O14976 3/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ WDR5 P61964 2/20 0.38

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
SCHEMBL25082131 0.88 TLR9 (0.47) MAP3K7AOC3GRM2LRRK2ACVR1
SCHEMBL25082097 0.87 MAPK1 (0.46) SYKMAP3K7WNT3AACVR1FGFR2
SCHEMBL25082179 0.86 TDO2 (0.54) TDO2AOC3KCNH2
SCHEMBL25082092 0.81 TDO2 (0.43) TDO2AOC3KCNH2
SCHEMBL30249544 0.80 TDO2 (0.41) TDO2AOC3KCNH2ACVR1
SCHEMBL25082164 0.80 TDO2 (0.41) TDO2AOC3KCNH2ACVR1
SCHEMBL25082145 0.79 TDO2 (0.41) TDO2AOC3
SCHEMBL25082139 0.79 TDO2 (0.41) TDO2AOC3KCNH2
SCHEMBL25082163 0.79 TDO2 (0.36) SYKTDO2AOC3ACVR1
SCHEMBL25082415 0.78 TDO2 (0.43) WNT3ATDO2AOC3

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-2023020512-A1 SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR 成都奥睿药业有限公司 2023-02-23 — — WO disclosed
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