SCHEMBL26394035

SCHEMBL26394035

CNc1n[nH]c2ccc(-c3cc(C#N)ccc3C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAP3K8 P41279 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ABCC9 O60706 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37

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
SCHEMBL26393692 0.87 GSK3B (0.41) LRRK2CLK4MAP3K8CDC7ABCC9
SCHEMBL26396309 0.87 LRRK2 (0.45) LRRK2CLK4MAP3K8CDC7ABCC9
SCHEMBL26394366 0.85 CYP1A2 (0.59) LRRK2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL26394054 0.82 CDK7 (0.46) LRRK2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL26393847 0.81 MAP2K4 (0.41) LRRK2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL26395345 0.76 LRRK2 (0.42) LRRK2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL26393678 0.75 LRRK2 (0.41) LRRK2CLK4MAP3K8CDC7CDK8
SCHEMBL26397024 0.73 LRRK2 (0.41) LRRK2CYP1A2CLK4MAP3K8CDC7
SCHEMBL26394712 0.72 GSK3B (0.51) CYP1A2CYP3A4CLK4CCNCCDK8
SCHEMBL11698487 0.70 ITK (0.47) LRRK2CDC7ITKABCC9

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-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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