SCHEMBL28600694

SCHEMBL28600694

CC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 3/20 0.52
▸ KDR P35968 3/20 0.52
▸ JAK3 P52333 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ IGF1R P08069 11/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ DDR2 Q16832 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.45
▸ MELK Q14680 1/20 0.44
▸ CDK4 P11802 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK6 Q00534 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
SCHEMBL24853281 1.00 FLT4 (0.52) FLT4KDRJAK3JAK2JAK1
SCHEMBL29941577 1.00 FLT4 (0.52) FLT4KDRJAK3JAK2JAK1
SCHEMBL22089898 1.00 FLT4 (0.52) FLT4KDRJAK3JAK2JAK1
SCHEMBL22089906 0.94 JAK2 (0.50) FLT4KDRJAK3JAK2JAK1
SCHEMBL27171225 0.94 JAK2 (0.50) FLT4KDRJAK3JAK2JAK1
SCHEMBL24852560 0.94 JAK2 (0.50) FLT4KDRJAK3JAK2JAK1
SCHEMBL22089913 0.92 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL29941674 0.92 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL22089803 0.92 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL29941738 0.92 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1

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
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