SCHEMBL25290730

SCHEMBL25290730

CCSc1cc(N2CCOc3cc(F)ccc3C2)cc(-c2ccc(C)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.45
▸ RIPK1 Q13546 2/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL25292880 0.87 KCNQ2 (0.53) KCNQ2RIPK1NTRK1
SCHEMBL31020074 0.87 KCNQ2 (0.53) KCNQ2RIPK1NTRK1
SCHEMBL25290731 0.86 KCNQ2 (0.46) KCNQ2RIPK1NTRK1
SCHEMBL25245957 0.75 KCNQ2 (0.51) KCNQ2RIPK1NTRK1
SCHEMBL30487373 0.75 KCNQ2 (0.51) KCNQ2RIPK1NTRK1
SCHEMBL25776944 0.74 KCNQ2 (0.66) KCNQ2RIPK1
SCHEMBL30487412 0.72 KCNQ2 (0.82) KCNQ2
SCHEMBL25243119 0.72 KCNQ2 (0.82) KCNQ2
SCHEMBL25241060 0.71 KCNQ2 (0.69) KCNQ2RIPK1
SCHEMBL25774878 0.71 KCNQ2 (0.36) KCNQ2

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-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
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