SCHEMBL29232006

SCHEMBL29232006

CNC(=O)c1cnc(NC2CC2)nc1Nc1cccc(-c2nnc(C)o2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.56
▸ JAK1 P23458 5/20 0.56
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ AXL P30530 2/20 0.47
▸ MERTK Q12866 2/20 0.47
▸ SYK P43405 2/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ MAPK3 P27361 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ GAS6 Q14393 1/20 0.38
▸ ULK1 O75385 1/20 0.38

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) TYK2JAK1CDK7CDK9AXL
SCHEMBL29883088 0.84 JAK1 (0.53) TYK2JAK1CDK7CDK9AXL
SCHEMBL29232009 0.84 JAK1 (0.53) TYK2JAK1CDK7CDK9AXL
SCHEMBL29232106 0.82 TYK2 (0.55) TYK2JAK1CDK7CDK9AXL
SCHEMBL29883000 0.81 TYK2 (0.60) TYK2JAK1
SCHEMBL30636208 0.77 TYK2 (0.72) TYK2JAK1
SCHEMBL16712862 0.77 TYK2 (0.72) TYK2JAK1
SCHEMBL27294015 0.76 TYK2 (0.59) TYK2JAK1CDK9AXLMAPK8
SCHEMBL15713486 0.76 TYK2 (0.71) TYK2JAK1
SCHEMBL27417191 0.76 JAK3 (0.49) TYK2JAK1CDK7CDK9AXL

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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