SCHEMBL22097931

SCHEMBL22097931

CC[C@@H](C#N)NC(O)c1ccc(-c2nc(Nc3cnn(C)c3)ncc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.44
▸ JAK1 P23458 6/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ STAT3 P40763 3/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CDK9 P50750 4/20 0.44
▸ CCNT1 O60563 3/20 0.44
▸ CCNB2 O95067 3/20 0.44
▸ CCNE2 O96020 3/20 0.44
▸ CDK1 P06493 3/20 0.44
▸ CCNB1 P14635 3/20 0.44
▸ CCNE1 P24864 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ CDK5R1 Q15078 3/20 0.44
▸ CCNB3 Q8WWL7 3/20 0.44
▸ CDK19 Q9BWU1 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ IGF1R P08069 2/20 0.42

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
SCHEMBL27452000 0.85 JAK1 (0.47) JAK2JAK1TYK2JAK3STAT3
SCHEMBL27450355 0.84 KDR (0.40) JAK2JAK1TYK2JAK3CDK1
SCHEMBL24853255 0.83 MAPK1 (0.49) JAK2JAK1TYK2JAK3STAT3
SCHEMBL28612291 0.83 MAPK1 (0.49) JAK2JAK1TYK2JAK3STAT3
SCHEMBL29942003 0.83 MAPK1 (0.49) JAK2JAK1TYK2JAK3STAT3
SCHEMBL24852488 0.82 CCNT1 (0.43) JAK2JAK1TYK2JAK3STAT3
SCHEMBL27449865 0.80 JAK2 (0.51) JAK2JAK1TYK2JAK3STAT3
SCHEMBL24853257 0.79 MAPK1 (0.46) JAK2JAK1TYK2JAK3CDK2
SCHEMBL24853456 0.78 MAP3K14 (0.46) JAK2JAK1TYK2JAK3STAT3
SCHEMBL22544660 0.77 CDK19 (0.57) JAK2JAK1TYK2JAK3CDK2

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
WO-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 — — WO disclosed
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