SCHEMBL1016206

SCHEMBL1016206

NCC1CCN(c2nc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc3[nH]ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.49
AKT2 P31751 1/20 0.48
GSK3B P49841 1/20 0.48
EGFR P00533 1/20 0.43
JAK3 P52333 4/20 0.42
BTK Q06187 3/20 0.42
SYK P43405 1/20 0.42
JAK1 P23458 1/20 0.41
PTK2 Q05397 1/20 0.40
MAP3K7 O43318 1/20 0.40

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 0.88 TTK (0.52) TTKEGFRJAK3BTKPTK2
SCHEMBL1016309 0.87 TTK (0.51) TTKEGFRJAK3BTKPTK2
SCHEMBL1018943 0.86 TTK (0.47) TTKEGFRJAK3BTKJAK1
SCHEMBL1017060 0.85 AKT2 (0.54) TTKAKT2GSK3BJAK3BTK
SCHEMBL1018497 0.85 SYK (0.45) TTKAKT2GSK3BSYK
SCHEMBL1015141 0.84 PAK4 (0.59) TTKEGFRJAK3BTKJAK1
SCHEMBL1019395 0.84 EGFR (0.50) TTKAKT2GSK3BEGFRJAK3
SCHEMBL27930742 0.83 EGFR (0.49) TTKAKT2GSK3BEGFRJAK3
SCHEMBL1021379 0.80 SYK (0.51) EGFRJAK3BTKSYKPTK2
SCHEMBL1018052 0.80 SYK (0.51) BTKSYK

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