SCHEMBL30956557

SCHEMBL30956557

Cc1cnc(Nc2cnn(C3CNC3)c2)nc1-c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 4/20 0.47
KDR P35968 2/20 0.47
JAK1 P23458 8/20 0.47
JAK2 O60674 7/20 0.47
JAK3 P52333 7/20 0.47
TYK2 P29597 2/20 0.47
NUAK1 O60285 4/20 0.46
AURKB Q96GD4 1/20 0.42
AURKC Q9UQB9 1/20 0.42
IGF1R P08069 2/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL30956567 0.91 JAK3 (0.54) FLT4JAK1JAK2JAK3TYK2
SCHEMBL30956437 0.91 NUAK1 (0.57) FLT4KDRJAK1JAK2JAK3
SCHEMBL30956426 0.91 FLT4 (0.46) FLT4KDRJAK1JAK2JAK3
SCHEMBL30956513 0.89 JAK3 (0.51) FLT4JAK1JAK2JAK3TYK2
SCHEMBL30956479 0.88 JAK1 (0.45) FLT4JAK1JAK2JAK3TYK2
SCHEMBL30956570 0.88 JAK1 (0.45) FLT4JAK1JAK2JAK3TYK2
SCHEMBL30956439 0.88 JAK3 (0.51) FLT4JAK1JAK2JAK3TYK2
SCHEMBL30956558 0.87 JAK3 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL30956615 0.87 FLT4 (0.55) FLT4KDRJAK1JAK2JAK3
SCHEMBL30956433 0.87 JAK3 (0.49) FLT4JAK1JAK2JAK3TYK2

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