SCHEMBL28602200

SCHEMBL28602200

CC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCOCC4)c3)ncc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.54
▸ JAK1 P23458 10/20 0.54
▸ JAK2 O60674 9/20 0.54
▸ MAP3K7 O43318 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ TYK2 P29597 3/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TBK1 Q9UHD2 1/20 0.46
▸ CCNB1 P14635 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ FLT4 P35916 2/20 0.44
▸ KDR P35968 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL22089914 1.00 JAK3 (0.54) JAK3JAK1JAK2MAP3K7MAPK1
SCHEMBL24852560 0.94 JAK2 (0.50) JAK3JAK1JAK2CDK1CDK2
SCHEMBL27171225 0.94 JAK2 (0.50) JAK3JAK1JAK2CDK1CDK2
SCHEMBL22089906 0.94 JAK2 (0.50) JAK3JAK1JAK2CDK1CDK2
SCHEMBL22089943 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2TBK1
SCHEMBL29941682 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2TBK1
SCHEMBL27171237 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2TBK1
SCHEMBL29942279 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2TBK1
SCHEMBL22097689 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2TBK1
SCHEMBL22089915 0.91 FLT4 (0.52) JAK3JAK1JAK2CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 — — CN claimed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 — — CN disclosed
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 — — CN disclosed
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