SCHEMBL30956519

SCHEMBL30956519

COc1c(C(N)=O)ccc(-c2nc(Nc3cnn(C)c3)ncc2C)c1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 14/20 0.51
▸ JAK3 P52333 12/20 0.51
▸ JAK2 O60674 8/20 0.51
▸ TYK2 P29597 6/20 0.51
▸ STAT3 P40763 2/20 0.51
▸ GSK3B P49841 3/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CDC7 O00311 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ PAK4 O96013 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ PRKACA P17612 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ SYK P43405 2/20 0.43
▸ CSNK1A1 P48729 2/20 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
SCHEMBL30956638 0.89 JAK1 (0.51) JAK1JAK3JAK2TYK2STAT3
SCHEMBL30956457 0.81 JAK3 (0.53) JAK1JAK3JAK2TYK2STAT3
SCHEMBL30956600 0.79 JAK3 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL30956521 0.76 JAK3 (0.58) JAK1JAK3JAK2TYK2STAT3
SCHEMBL30956400 0.75 JAK1 (0.52) JAK1JAK3JAK2TYK2STAT3
SCHEMBL30956572 0.74 JAK1 (0.58) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4562360 0.74 JAK3 (0.51) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4559670 0.74 JAK1 (0.62) JAK1JAK3JAK2TYK2STAT3
SCHEMBL22098009 0.73 JAK2 (0.53) JAK1JAK3JAK2TYK2STAT3
SCHEMBL29942247 0.73 JAK2 (0.53) JAK1JAK3JAK2TYK2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 — — CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 — — CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 — — CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 — — CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 — — CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
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
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