SCHEMBL3428561

SCHEMBL3428561

CCNC(=O)Nc1[c]nccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.41
ABL1 P00519 4/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL3430577 0.85 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2
SCHEMBL5472894 0.84 L3MBTL1 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL5478772 0.81 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL12468731 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1906809 0.78 HSD17B10 (0.41) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5914583 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2GAAJAK2
SCHEMBL1903812 0.75 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3430680 0.75 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5481218 0.74 GAA (0.36) NPC1GAA
SCHEMBL1665108 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GAAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed