SCHEMBL20009463

SCHEMBL20009463

C=C/C(=C\C(=C/N(C)C)c1cc(NC(=C)/C(=C/NC)C(C)=N)ccc1C)N1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20008254 0.69 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20008384 0.65 RAF1 (0.31)
SCHEMBL20009063 0.65 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20008487 0.64 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20008363 0.63 MAPT (0.37) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20009408 0.62 BRAF (0.45) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20008164 0.60 MAPT (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL20008581 0.59 TP53 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL24042632 0.56 ALDH1A1 (0.32) NPC1RAB9AALDH1A1
SCHEMBL20008308 0.54 NPC1 (0.36) NPC1RAB9ASMN1; 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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed