SCHEMBL28606111

SCHEMBL28606111

CC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 7/20 0.52
▸ KDR P35968 5/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ JAK1 P23458 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ IGF1R P08069 2/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ NUAK1 O60285 3/20 0.45
▸ TBK1 Q9UHD2 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ DDR2 Q16832 2/20 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
SCHEMBL22089915 1.00 FLT4 (0.52) FLT4KDRAURKBJAK1JAK3
SCHEMBL24852560 0.94 JAK2 (0.50) FLT4KDRJAK1JAK3JAK2
SCHEMBL22089906 0.94 JAK2 (0.50) FLT4KDRJAK1JAK3JAK2
SCHEMBL27171225 0.94 JAK2 (0.50) FLT4KDRJAK1JAK3JAK2
SCHEMBL22089923 0.92 JAK3 (0.48) FLT4KDRJAK1JAK3JAK2
SCHEMBL29941940 0.92 JAK3 (0.48) FLT4KDRJAK1JAK3JAK2
SCHEMBL28919837 0.92 JAK3 (0.48) FLT4KDRJAK1JAK3JAK2
SCHEMBL27248465 0.91 JAK3 (0.55) FLT4KDRAURKBJAK1JAK3
SCHEMBL22089898 0.91 FLT4 (0.52) FLT4KDRJAK1JAK3JAK2
SCHEMBL24853281 0.91 FLT4 (0.52) FLT4KDRJAK1JAK3JAK2

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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