SCHEMBL30956426

SCHEMBL30956426

COC(=O)c1ccccc1-c1nc(Nc2cnn(C3CNC3)c2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 4/20 0.46
KDR P35968 2/20 0.46
JAK1 P23458 7/20 0.46
JAK2 O60674 6/20 0.46
NUAK1 O60285 4/20 0.45
JAK3 P52333 7/20 0.44
TYK2 P29597 3/20 0.44
AURKB Q96GD4 1/20 0.41
AURKC Q9UQB9 1/20 0.41
IGF1R P08069 2/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
CDK8 P49336 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTK2 Q05397 1/20 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) FLT4JAK1JAK2NUAK1JAK3
SCHEMBL30956407 0.92 KDR (0.48) FLT4KDRJAK1JAK2NUAK1
SCHEMBL30956557 0.91 FLT4 (0.47) FLT4KDRJAK1JAK2NUAK1
Hydrochloric Acid SCHEMBL30956501 0.90 NUAK1 (0.55) FLT4KDRJAK1JAK2NUAK1
SCHEMBL30956532 0.89 JAK2 (0.46) FLT4JAK1JAK2NUAK1JAK3
SCHEMBL30956612 0.89 JAK3 (0.49) FLT4JAK1JAK2NUAK1JAK3
SCHEMBL30956469 0.88 JAK3 (0.42) FLT4JAK1JAK2NUAK1JAK3
SCHEMBL30956543 0.88 FLT4 (0.54) FLT4KDRJAK1JAK2JAK3
SCHEMBL30956526 0.88 JAK3 (0.47) FLT4JAK1JAK2NUAK1JAK3
SCHEMBL30956572 0.86 JAK1 (0.58) FLT4KDRJAK1JAK2JAK3

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