SCHEMBL28614744

SCHEMBL28614744

Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1cccc(C(=O)NC(C#N)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 9/20 0.49
▸ FLT4 P35916 4/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ KDR P35968 1/20 0.43
▸ NUAK1 O60285 4/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ AURKC Q9UQB9 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ IGF1R P08069 1/20 0.41

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
SCHEMBL29249034 0.91 JAK3 (0.46) DDR2FLT4JAK1JAK3KDR
SCHEMBL24853534 0.91 JAK3 (0.46) DDR2FLT4JAK1JAK3KDR
SCHEMBL28605842 0.90 DDR2 (0.47) DDR2FLT4JAK1JAK3KDR
SCHEMBL28919423 0.88 DDR2 (0.46) DDR2FLT4JAK1JAK3KDR
SCHEMBL28612297 0.86 DDR2 (0.49) DDR2JAK1JAK3IGF1R
SCHEMBL22090272 0.86 DDR2 (0.49) DDR2JAK1JAK3IGF1R
SCHEMBL29942255 0.86 DDR2 (0.49) DDR2JAK1JAK3IGF1R
SCHEMBL22089923 0.84 JAK3 (0.48) DDR2FLT4JAK1JAK3KDR
SCHEMBL28919837 0.84 JAK3 (0.48) DDR2FLT4JAK1JAK3KDR
SCHEMBL29941940 0.84 JAK3 (0.48) DDR2FLT4JAK1JAK3KDR

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-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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