SCHEMBL30956382

SCHEMBL30956382

Cc1cnc(Nc2cnn(C3CCCCN3C(=O)OCc3ccccc3)c2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.53
▸ JAK3 P52333 14/20 0.53
▸ JAK1 P23458 11/20 0.52
▸ TYK2 P29597 3/20 0.39
▸ STAT3 P40763 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CDK2 P24941 2/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ OPA1 O60313 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ STK16 O75716 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ CSNK2A2 P19784 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
SCHEMBL30956584 0.89 JAK2 (0.41) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956580 0.89 CPT1A (0.39) JAK2JAK3JAK1
SCHEMBL30956515 0.89 JAK2 (0.55) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30891589 0.83 GFER (0.39) JAK2JAK3JAK1TYK2CDK6
SCHEMBL30956471 0.82 IGF1R (0.41) JAK2JAK3JAK1KDRAURKB
SCHEMBL30891576 0.81 JAK3 (0.36) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29942192 0.81 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089909 0.81 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089802 0.79 JAK3 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29941749 0.79 JAK3 (0.65) JAK2JAK3JAK1TYK2STAT3

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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