SCHEMBL30956449

SCHEMBL30956449

CC[C@H](C#N)c1cc(-c2nc(Nc3cnn(C4CCCNC4)c3)ncc2C)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.45
AURKB Q96GD4 2/20 0.45
JAK3 P52333 16/20 0.44
JAK1 P23458 12/20 0.44
JAK2 O60674 10/20 0.43
TYK2 P29597 3/20 0.43
FLT4 P35916 3/20 0.40
ABL1 P00519 1/20 0.39
STAT3 P40763 1/20 0.39
GSK3B P49841 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
SCHEMBL29941746 0.83 JAK2 (0.45) KDRAURKBJAK3JAK1JAK2
SCHEMBL22097786 0.83 JAK2 (0.45) KDRAURKBJAK3JAK1JAK2
SCHEMBL28598709 0.80 KDR (0.46) KDRAURKBJAK3JAK1JAK2
SCHEMBL30956554 0.79 JAK3 (0.52) KDRAURKBJAK3JAK1JAK2
SCHEMBL30956573 0.78 JAK3 (0.44) JAK3JAK1JAK2TYK2FLT4
SCHEMBL30956462 0.78 JAK3 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL27059432 0.77 KDR (0.49) KDRAURKBJAK3JAK1JAK2
SCHEMBL30956534 0.76 JAK3 (0.49) KDRJAK3JAK1JAK2TYK2
Hydrochloric Acid SCHEMBL30956613 0.76 JAK3 (0.54) KDRAURKBJAK3JAK1JAK2
SCHEMBL30956387 0.75 JAK3 (0.47) KDRAURKBJAK3JAK1JAK2

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