SCHEMBL10235367

SCHEMBL10235367

CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ccc(CN)cn3)c2s1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17243951 0.93 ABL1 (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282227 0.91 ABL1 (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282424 0.91 ABL1 (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282858 0.90 ABL1 (0.39) ABL1
SCHEMBL1283712 0.89 AXL (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260105 0.88 MTOR (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282153 0.88 PIK3CD (0.41) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1283072 0.88 ABL1 (0.35) ABL1
SCHEMBL1282207 0.88 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282907 0.88 ABL1 (0.36) ABL1NPC1RAB9ASMN1; SMN2

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-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed