SCHEMBL1021471

SCHEMBL1021471

CC(CO)Nc1nc(Nc2ccc(N3CCN(CC=O)CC3)cc2)nc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.47
SYK P43405 2/20 0.47
JAK3 P52333 5/20 0.47
BTK Q06187 4/20 0.47
EGFR P00533 3/20 0.46
JAK2 O60674 2/20 0.45
MAP3K7 O43318 1/20 0.45
BRD4 O60885 1/20 0.45
TTK P33981 6/20 0.44
JAK1 P23458 1/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL1018255 0.86 SYK (0.64) PTK2SYKJAK3BTKEGFR
SCHEMBL1073042 0.86 SYK (0.64) PTK2SYKJAK3BTKEGFR
SCHEMBL4376418 0.86 SYK (0.64) PTK2SYKJAK3BTKEGFR
SCHEMBL1017177 0.85 PTK2 (0.58) PTK2SYKJAK3BTKEGFR
SCHEMBL1018231 0.85 PTK2 (0.58) PTK2SYKJAK3BTKEGFR
SCHEMBL1018234 0.85 PTK2 (0.58) PTK2SYKJAK3BTKEGFR
SCHEMBL1019052 0.82 TTK (0.47) PTK2JAK3BTKEGFRJAK2
SCHEMBL1018622 0.79 TTK (0.52) PTK2JAK3BTKEGFRMAP3K7
SCHEMBL1017789 0.78 JAK3 (0.55) PTK2SYKJAK3BTKEGFR
SCHEMBL1018711 0.78 TTK (0.46) PTK2JAK3BTKEGFRJAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed