SCHEMBL29232106

SCHEMBL29232106

CNC(=O)c1cnc(NC2CC2)nc1Nc1cccc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.55
▸ JAK1 P23458 10/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CDK7 P50613 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ AXL P30530 1/20 0.49
▸ MERTK Q12866 1/20 0.49
▸ SYK P43405 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MAPK3 P27361 1/20 0.42

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
SCHEMBL29232107 0.85 AXL (0.51) TYK2JAK1CYP2C19CDK7CDK9
SCHEMBL29232006 0.82 TYK2 (0.56) TYK2JAK1CDK7CDK9AXL
SCHEMBL29882777 0.81 TYK2 (0.48) TYK2JAK1CYP2C19SYKKCNH2
SCHEMBL30751500 0.80 TYK2 (0.53) TYK2JAK1CYP2C19KCNH2
SCHEMBL30751557 0.80 TYK2 (0.54) TYK2JAK1CYP2C19KCNH2
SCHEMBL29883074 0.80 TYK2 (0.52) TYK2JAK1CYP2C19KCNH2
SCHEMBL30751501 0.79 TYK2 (0.53) TYK2JAK1CYP2C19KCNH2
SCHEMBL30751558 0.79 TYK2 (0.53) TYK2JAK1CYP2C19KCNH2
Parent Of Bms-986202 SCHEMBL18102142 0.76 TYK2 (0.89) TYK2JAK1CYP2C19KCNH2
SCHEMBL22313887 0.75 TYK2 (0.55) TYK2JAK1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197196-B TYK2 inhibitor and application thereof 扬子江药业集团有限公司 2024-06-18 — — CN disclosed
CN-115197196-A TYK2 inhibitor and application thereof 扬子江药业集团有限公司 2022-10-18 — — CN disclosed
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