SCHEMBL23398096

SCHEMBL23398096

CNC(=O)Nc1ccc([S+](C)[O-])c(-c2nc3cc(C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ FRK P42685 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ STK3 Q13188 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ HIPK4 Q8NE63 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ PBK Q96KB5 1/20 0.31
▸ HIPK2 Q9H2X6 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
SCHEMBL23398054 0.93 — —
SCHEMBL23398053 0.90 ACVR1 (0.30) CDK8ACVR1MST1RCLK4
SCHEMBL23398097 0.88 — —
SCHEMBL21999358 0.84 PIK3CD (0.32) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL23398040 0.84 — —
SCHEMBL21796218 0.83 DDR1 (0.33) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL23398055 0.83 — —
SCHEMBL23398094 0.81 — —
SCHEMBL29720572 0.81 ACVR1 (0.31) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL28359602 0.81 ACVR1 (0.31) PRKD3PRKCGCDK1CDK2FLT4

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
EP-3619212-B1 2- (HET) ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2021-05-26 — — EP disclosed
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