SCHEMBL2908002

SCHEMBL2908002

Nc1nccc(-c2cccc(N3CCOCC3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.62
CDK2 P24941 1/20 0.62
JAK2 O60674 3/20 0.61
CAMK2D Q13557 1/20 0.59
DHFR P00374 7/20 0.55
PIK3CA P42336 2/20 0.55
MAPK8 P45983 4/20 0.54
MAPK10 P53779 4/20 0.54
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
PIK3CB P42338 1/20 0.52
ATR Q13535 1/20 0.50
AURKA O14965 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PRKACA P17612 1/20 0.49
ADORA2A P29274 1/20 0.49
MAPK9 P45984 1/20 0.46

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
SCHEMBL30826811 1.00 CDK1 (0.62) CDK1CDK2JAK2CAMK2DDHFR
SCHEMBL4466816 0.85 CDK1 (0.66) CDK1CDK2JAK2PIK3CAPIK3CD
SCHEMBL3760144 0.84 CAMK2D (0.65) CDK1CDK2JAK2CAMK2DPIK3CA
SCHEMBL29383512 0.82 CDK1 (0.57) CDK1CDK2JAK2CAMK2DDHFR
SCHEMBL4611806 0.78 DHFR (0.71) DHFRPIK3CA
SCHEMBL22801126 0.77 MAPK14 (0.54) JAK2CAMK2DDHFRATR
SCHEMBL12801112 0.77 JAK2 (1.00) JAK2CAMK2DMAPK8MAPK10
SCHEMBL14961828 0.76 DHFR (0.54) CAMK2DDHFRPIK3CAPIK3CDPIK3CB
SCHEMBL4033705 0.76 PIM1 (0.67) CDK1CDK2JAK2PIK3CAMAPK10
SCHEMBL14072025 0.76 AGXT (0.51) JAK2CAMK2DDHFRPIK3CAMAPK8

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
EP-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed