SCHEMBL1018943

SCHEMBL1018943

O=CCN1CCN(c2ccc(Nc3nc(N4CCC(O)C4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 9/20 0.47
JAK3 P52333 6/20 0.46
BTK Q06187 4/20 0.46
EGFR P00533 1/20 0.44
JAK1 P23458 1/20 0.44
PAK4 O96013 2/20 0.42
MAP3K7 O43318 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
SCHEMBL1015141 0.86 PAK4 (0.59) TTKJAK3BTKEGFRJAK1
SCHEMBL1018622 0.86 TTK (0.52) TTKJAK3BTKEGFRMAP3K7
SCHEMBL1016206 0.86 TTK (0.49) TTKJAK3BTKEGFRJAK1
SCHEMBL1016309 0.85 TTK (0.51) TTKJAK3BTKEGFRMAP3K7
SCHEMBL1018567 0.84 PTK2 (0.50) TTKJAK3BTKEGFRJAK1
SCHEMBL1074127 0.84 PTK2 (0.50) TTKJAK3BTKEGFRJAK1
SCHEMBL4383660 0.84 JAK3 (0.52) TTKJAK3BTKEGFRJAK1
SCHEMBL4383672 0.84 JAK3 (0.52) TTKJAK3BTKEGFRJAK1
SCHEMBL27912557 0.83 JAK3 (0.50) TTKJAK3BTKEGFRJAK1
SCHEMBL1019052 0.78 TTK (0.47) TTKJAK3BTKEGFRJAK1

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