SCHEMBL28600652

SCHEMBL28600652

CC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.54
CDK6 Q00534 3/20 0.54
CDK2 P24941 2/20 0.54
CCNA2 P20248 1/20 0.54
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
JAK3 P52333 2/20 0.51
CDK1 P06493 1/20 0.49
DDR2 Q16832 1/20 0.48
IGF1R P08069 5/20 0.47
PIK3CD O00329 2/20 0.46
CSF1R P07333 2/20 0.46
STK17A Q9UEE5 2/20 0.46
MYLK4 Q86YV6 1/20 0.46
FLT4 P35916 4/20 0.45
KDR P35968 4/20 0.45
MAPK6 Q16659 1/20 0.45
MAP3K14 Q99558 1/20 0.45

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
SCHEMBL22089701 1.00 CDK4 (0.54) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL22097751 1.00 CDK4 (0.54) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL29942188 1.00 CDK4 (0.54) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL29942180 1.00 CDK4 (0.54) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL22089803 0.92 JAK3 (0.51) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL22089913 0.92 JAK3 (0.51) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL29941674 0.92 JAK3 (0.51) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL29941738 0.92 JAK3 (0.51) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL27215624 0.92 JAK3 (0.51) CDK4CDK6CDK2CCNA2JAK2
SCHEMBL22114534 0.91 CDK4 (0.57) CDK4CDK6CDK2CCNA2JAK2

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 2 patents. 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
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