SCHEMBL30956554

SCHEMBL30956554

Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(N)=O)c(CC#N)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.52
JAK1 P23458 8/20 0.52
FLT4 P35916 8/20 0.48
JAK2 O60674 7/20 0.46
TYK2 P29597 3/20 0.46
KDR P35968 3/20 0.46
AURKB Q96GD4 1/20 0.44
NUAK1 O60285 2/20 0.44
STAT3 P40763 1/20 0.42

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
SCHEMBL30956531 0.92 JAK3 (0.49) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956435 0.90 JAK3 (0.46) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956535 0.90 JAK3 (0.46) JAK3JAK1FLT4JAK2TYK2
Hydrochloric Acid SCHEMBL30956613 0.89 JAK3 (0.54) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956445 0.89 JAK3 (0.45) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956611 0.87 JAK3 (0.46) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956387 0.87 JAK3 (0.47) JAK3JAK1JAK2TYK2KDR
SCHEMBL30956514 0.86 JAK3 (0.43) JAK3JAK1FLT4JAK2TYK2
SCHEMBL30956506 0.86 JAK3 (0.47) JAK3JAK1JAK2TYK2STAT3
SCHEMBL30956522 0.86 FLT4 (0.44) JAK3JAK1FLT4JAK2TYK2

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