SCHEMBL29249077

SCHEMBL29249077

CCC(C#N)NC(=O)c1ccc(-c2nc(Nc3cn[nH]c3)ncc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK3 P52333 4/20 0.43
JAK1 P23458 2/20 0.43
KDR P35968 5/20 0.43
FLT4 P35916 2/20 0.43
MAPK1 P28482 3/20 0.42
CDK1 P06493 3/20 0.40
PAK1 Q13153 1/20 0.39
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
AURKA O14965 3/20 0.38
CDK2 P24941 3/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL22097895 1.00 JAK2 (0.43) JAK2JAK3JAK1KDRFLT4
SCHEMBL28603765 0.91 PAK1 (0.49) JAK2JAK3JAK1KDRFLT4
SCHEMBL28600666 0.89 KDR (0.44) JAK2JAK3JAK1KDRFLT4
SCHEMBL22090054 0.89 KDR (0.44) JAK2JAK3JAK1KDRFLT4
SCHEMBL29941888 0.89 KDR (0.44) JAK2JAK3JAK1KDRFLT4
SCHEMBL22098067 0.84 JAK2 (0.43) JAK2JAK3JAK1FLT4MAPK1
SCHEMBL24853255 0.84 MAPK1 (0.49) JAK2JAK3JAK1KDRFLT4
SCHEMBL28612291 0.84 MAPK1 (0.49) JAK2JAK3JAK1KDRFLT4
SCHEMBL29942003 0.84 MAPK1 (0.49) JAK2JAK3JAK1KDRFLT4
SCHEMBL27450355 0.83 KDR (0.40) JAK2JAK3JAK1KDRFLT4

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