SCHEMBL12834302

SCHEMBL12834302

COc1ccc2c(c1)CCC1=C2NC(n2ncc(C(=O)Nc3ccc(N4CC5(CN(C)C5)C4)cc3)c2N)N=C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LRRK2 Q5S007 1/20 0.35
IKBKB O14920 1/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
NR4A1 P22736 1/20 0.34
MCL1 Q07820 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR1B P28222 2/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12834296 0.87 F10 (0.37) F10RAB9ANPC1LRRK2IKBKB
SCHEMBL14089982 0.76 MAPT (0.42) F10RAB9ANPC1LRRK2IKBKB
SCHEMBL14089979 0.70 KDM4E (0.41) F10RAB9ANPC1LRRK2IKBKB
SCHEMBL12834312 0.66 ABCB1 (0.32)
SCHEMBL12834303 0.64 POLB (0.38) F10RAB9ANPC1MAPTKMT2A
SCHEMBL31254445 0.59 HSD17B10 (0.60) F10RAB9ANPC1MAPTKMT2A
SCHEMBL31254451 0.57 RAB9A (1.00) F10RAB9ANPC1MAPTKMT2A
SCHEMBL31254420 0.56 HSD17B10 (0.63) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL5401508 0.55 F10 (0.81) F10RAB9ANPC1MAPTKMT2A
SCHEMBL5409547 0.55 F10 (0.81) F10RAB9ANPC1MAPTKMT2A

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-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed