SCHEMBL20009408

SCHEMBL20009408

CN/C=C(\C=C(/C)N1CCCCC1)c1cc(NC(=O)c2cncc(N(C)C)c2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
RAF1 P04049 3/20 0.45
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ACKR3 P25106 3/20 0.39
BTK Q06187 1/20 0.39
LMNA P02545 3/20 0.38
CSF1R P07333 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
SCHEMBL20009063 0.77 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20008363 0.76 MAPT (0.37) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20008487 0.69 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20009507 0.67 MAPT (0.33) MAPTALDH1A1LMNAUSP2
SCHEMBL20008164 0.66 MAPT (0.32) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20008594 0.65 RAF1 (0.47) BRAFRAF1
SCHEMBL20008383 0.65 MAPT (0.38) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL21391329 0.64 KIT (0.60) BRAFRAF1MAPTHTTMEN1
SCHEMBL20008387 0.64 RAF1 (0.45) BRAFRAF1
SCHEMBL3941868 0.63 BRAF (0.61) BRAFNPC1RAB9ASMN1; SMN2MAPT

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