SCHEMBL29232107

SCHEMBL29232107

CNC(=O)c1cnc(NC2CC2)nc1Nc1cccc(-c2noc(C)n2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.51
▸ MERTK Q12866 1/20 0.51
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ TYK2 P29597 11/20 0.44
▸ SYK P43405 4/20 0.43
▸ JAK1 P23458 7/20 0.43
▸ MAPK3 P27361 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL29232106 0.85 TYK2 (0.55) AXLMERTKCDK7CDK9TYK2
SCHEMBL29232006 0.85 TYK2 (0.56) AXLMERTKCDK7CDK9TYK2
SCHEMBL29232093 0.82 JAK1 (0.45) AXLMERTKTYK2JAK1KCNH2
SCHEMBL29883118 0.82 JAK1 (0.45) AXLMERTKTYK2JAK1KCNH2
SCHEMBL29882997 0.82 TYK2 (0.43) TYK2JAK1KCNH2
SCHEMBL29232010 0.81 TYK2 (0.41) AXLMERTKTYK2JAK1KCNH2
SCHEMBL29232078 0.79 TYK2 (0.44) TYK2JAK1KCNH2
SCHEMBL29882805 0.79 TYK2 (0.44) TYK2JAK1KCNH2
SCHEMBL30636240 0.78 TYK2 (0.70) TYK2JAK1CYP2C19
SCHEMBL26629672 0.78 TYK2 (0.70) 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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