SCHEMBL29249017

SCHEMBL29249017

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCOCC4)c3)ncc2C(F)(F)F)cc1-c1nc(Nc2cnn(C3CCOCC3)c2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
JAK2 O60674 10/20 0.47
JAK1 P23458 10/20 0.47
JAK3 P52333 10/20 0.47
TYK2 P29597 4/20 0.47
FLT4 P35916 3/20 0.43
KDR P35968 1/20 0.43
LRRK2 Q5S007 1/20 0.43
MAP3K7 O43318 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL30956404 0.91 JAK1 (0.51) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL24852462 0.88 JAK2 (0.53) CCNE1CDK2CDK1CCNB1JAK2
SCHEMBL24852466 0.82 JAK2 (0.53) CCNE1CDK2CDK1CCNB1JAK2
SCHEMBL30956409 0.81 JAK1 (0.53) JAK2JAK1JAK3TYK2FLT4
SCHEMBL28602253 0.81 IGF1R (0.49) CDK2CDK1JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL30956379 0.80 FLT4 (0.57) JAK1JAK3FLT4KDR
SCHEMBL30956425 0.80 JAK1 (0.51) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956464 0.79 FLT4 (0.51) CDK2CDK1FLT4KDR
SCHEMBL22097977 0.79 FLT4 (0.55) JAK2JAK1JAK3FLT4KDR
SCHEMBL22098075 0.78 JAK2 (0.57) CCNE1CDK2CDK1CCNB1JAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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