SCHEMBL29720572

SCHEMBL29720572

CCSc1ccc(NC(=O)NC)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.31
▸ CLK4 Q9HAZ1 4/20 0.31
▸ MST1R Q04912 2/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT4 P35916 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ FRK P42685 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ STK3 Q13188 1/20 0.30

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
SCHEMBL28359602 1.00 ACVR1 (0.31) ACVR1CLK4MST1RCDK8GSK3A
SCHEMBL23398061 0.86 — —
SCHEMBL20042379 0.85 ACVR1 (0.32) ACVR1CLK4MST1RCDK8GSK3A
SCHEMBL21796218 0.84 DDR1 (0.33) ACVR1CLK4MST1RCDK8GSK3A
SCHEMBL23398053 0.82 ACVR1 (0.30) ACVR1CLK4MST1RCDK8GSK3A
SCHEMBL21999358 0.82 PIK3CD (0.32) ACVR1CLK4MST1RCDK8PRKD3
SCHEMBL18498705 0.82 POLB (0.33) POLBALDH1A1LMNAMAPT
SCHEMBL23398096 0.81 PRKD3 (0.31) ACVR1CLK4MST1RCDK8PRKD3
SCHEMBL21930788 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18498642 0.80 CYP11B1 (0.35) ALDH1A1LMNA

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
CN-110637019-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳公司 2022-07-12 — — CN disclosed
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