SCHEMBL30956532

SCHEMBL30956532

COC(=O)c1ccccc1-c1nc(Nc2cnn(C3CC(=O)C3)c2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.46
JAK1 P23458 6/20 0.46
JAK3 P52333 8/20 0.44
TYK2 P29597 3/20 0.44
NUAK1 O60285 3/20 0.43
IGF1R P08069 3/20 0.41
CDK2 P24941 3/20 0.41
CDK7 P50613 3/20 0.41
CDK9 P50750 3/20 0.41
CDK8 P49336 2/20 0.41
CDK1 P06493 1/20 0.41
KCNH2 Q12809 1/20 0.41
FLT4 P35916 1/20 0.41
AURKB Q96GD4 1/20 0.40
AURKC Q9UQB9 1/20 0.40
PTK2 Q05397 1/20 0.39
CDC7 O00311 2/20 0.39
DAPK3 O43293 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKD3 O94806 2/20 0.39

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
SCHEMBL30956450 0.92 JAK3 (0.51) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL28919841 0.90 JAK2 (0.40) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL30956612 0.89 JAK3 (0.49) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL30956426 0.89 FLT4 (0.46) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL30956572 0.88 JAK1 (0.58) JAK2JAK1JAK3TYK2CDK2
SCHEMBL30956543 0.88 FLT4 (0.54) JAK2JAK1JAK3TYK2IGF1R
SCHEMBL30956526 0.88 JAK3 (0.47) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL30956469 0.88 JAK3 (0.42) JAK2JAK1JAK3TYK2NUAK1
Hydrochloric Acid SCHEMBL30956501 0.87 NUAK1 (0.55) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL30956410 0.86 JAK1 (0.43) JAK2JAK1JAK3TYK2NUAK1

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