SCHEMBL1019052

SCHEMBL1019052

CSc1nc(Nc2ccc(N3CCN(CC=O)CC3)cc2)nc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 9/20 0.47
PTK2 Q05397 4/20 0.45
MAP3K7 O43318 1/20 0.45
EGFR P00533 2/20 0.44
JAK3 P52333 4/20 0.44
BTK Q06187 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.44
KCNH2 Q12809 1/20 0.44
BRD4 O60885 1/20 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
SCHEMBL1018622 0.83 TTK (0.52) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL1018711 0.83 TTK (0.46) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL1016309 0.82 TTK (0.51) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL4381741 0.82 EGFR (0.51) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL1021471 0.82 PTK2 (0.47) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL1018943 0.78 TTK (0.47) TTKMAP3K7EGFRJAK3BTK
SCHEMBL1016206 0.78 TTK (0.49) TTKPTK2MAP3K7EGFRJAK3
SCHEMBL1017789 0.77 JAK3 (0.55) TTKPTK2EGFRJAK3BTK
SCHEMBL1015141 0.77 PAK4 (0.59) TTKEGFRJAK3BTKJAK1
SCHEMBL4198397 0.77 PDGFRA (0.56) PTK2EGFRJAK3BTKJAK2

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-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