SCHEMBL1018052

SCHEMBL1018052

NCC1CCN(c2nc(Nc3ccc(N4CCN(CC=O)CC4)cc3)ncc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.51
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LRRK2 Q5S007 9/20 0.43
STAT6 P42226 1/20 0.42
BRD4 O60885 1/20 0.42
FLT3 P36888 1/20 0.41
BTK Q06187 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
SCHEMBL1018466 0.91 PTK2 (0.46) SYKNPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL1021379 0.89 SYK (0.51) SYKLRRK2FLT3BTK
SCHEMBL1017856 0.85 STK17A (0.48) SYKNPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL1015978 0.84 SYK (0.41) SYKLRRK2STAT6BRD4FLT3
SCHEMBL1017426 0.84 SYK (0.58) SYK
SCHEMBL1018497 0.81 SYK (0.45) SYKLRRK2
SCHEMBL1016206 0.80 TTK (0.49) SYKBTK
SCHEMBL1018581 0.80 GSK3A (0.52) SYKNPC1RAB9ASMN1; SMN2BRD4
SCHEMBL1017694 0.79 CCNE1 (0.52) SYKNPC1RAB9ASMN1; SMN2
SCHEMBL1018676 0.79 JAK3 (0.57) SYKNPC1RAB9ASMN1; SMN2FLT3

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