SCHEMBL30956575

SCHEMBL30956575

N#CCNC(=O)c1cccc(-c2nc(Nc3cn[nH]c3)ncc2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.40
JAK3 P52333 3/20 0.40
JAK1 P23458 3/20 0.40
CDK2 P24941 8/20 0.38
CDK9 P50750 7/20 0.38
PTK2 Q05397 1/20 0.38
TYK2 P29597 3/20 0.36
FLT4 P35916 2/20 0.36
PAK1 Q13153 1/20 0.36
KDR P35968 1/20 0.36
MAP4K4 O95819 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL30956601 0.86 AURKA (0.46) JAK2JAK3JAK1CDK2CDK9
SCHEMBL30956505 0.84 CDK2 (0.39) JAK2JAK3JAK1CDK2CDK9
SCHEMBL24852464 0.83 JAK2 (0.46) JAK2JAK3JAK1CDK2TYK2
SCHEMBL30956538 0.83 JAK2 (0.45) JAK2JAK3JAK1CDK2PTK2
SCHEMBL22097760 0.73 JAK2 (0.64) JAK2JAK3JAK1CDK2
SCHEMBL30172434 0.73 JAK2 (0.64) JAK2JAK3JAK1CDK2
SCHEMBL30956444 0.72 JAK3 (0.49) JAK2JAK3JAK1CDK2CDK9
SCHEMBL24852463 0.69 MAPK8 (0.46) JAK2CDK2KCNH2
SCHEMBL30827949 0.68 AURKA (0.47) JAK2JAK3JAK1CDK2PTK2
SCHEMBL24852465 0.67 MAPK8 (0.49) JAK2JAK3JAK1CDK2KCNH2

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