SCHEMBL28600666

SCHEMBL28600666

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
FLT4 P35916 2/20 0.44
JAK2 O60674 4/20 0.43
JAK3 P52333 4/20 0.43
JAK1 P23458 2/20 0.43
MAPK1 P28482 2/20 0.42
CDK1 P06493 2/20 0.39
AURKA O14965 1/20 0.38
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CDK2 P24941 1/20 0.37
KCNH2 Q12809 1/20 0.37
LRRK2 Q5S007 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL22090054 1.00 KDR (0.44) KDRFLT4JAK2JAK3JAK1
SCHEMBL29941888 1.00 KDR (0.44) KDRFLT4JAK2JAK3JAK1
SCHEMBL22089901 0.91 JAK2 (0.47) JAK2JAK3JAK1MAPK1AURKA
SCHEMBL28607945 0.91 JAK2 (0.47) JAK2JAK3JAK1MAPK1AURKA
SCHEMBL29941633 0.91 JAK2 (0.47) JAK2JAK3JAK1MAPK1AURKA
SCHEMBL22097895 0.89 JAK2 (0.43) KDRFLT4JAK2JAK3JAK1
SCHEMBL29249077 0.89 JAK2 (0.43) KDRFLT4JAK2JAK3JAK1
SCHEMBL28602196 0.84 AURKA (0.44) FLT4JAK2JAK3JAK1AURKA
SCHEMBL22089934 0.84 AURKA (0.44) FLT4JAK2JAK3JAK1AURKA
SCHEMBL22097850 0.83 MAPK1 (0.47) KDRFLT4JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN claimed
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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed