SCHEMBL12834296

SCHEMBL12834296

COc1ccc2c(c1)CCC1=C2NC(n2cc(C(=O)Nc3ccc(N4CC5(CN(C)C5)C4)cc3)c(N)n2)N=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
IKBKB O14920 1/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 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
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL12834302 0.87 F10 (0.38) F10RAB9ANPC1IKBKBKMT2A
SCHEMBL12834312 0.78 ABCB1 (0.32)
SCHEMBL14089979 0.75 KDM4E (0.41) F10RAB9ANPC1IKBKBKMT2A
SCHEMBL12834300 0.72 ROCK2 (0.41) F10RAB9ANPC1IKBKBMAPT
SCHEMBL12834303 0.71 POLB (0.38) F10RAB9ANPC1KMT2AMAPT
SCHEMBL14089982 0.69 MAPT (0.42) F10RAB9ANPC1IKBKBKMT2A
SCHEMBL12834301 0.69 ABCB1 (0.38) MAPT
SCHEMBL12834311 0.64 ABCB1 (0.36) KMT2AMAPTMEN1
SCHEMBL12834310 0.61 LRRK2 (0.38) RAB9AKMT2AMAPTALDH1A1MCL1
SCHEMBL14090054 0.59 AXL (0.44) IKBKBMAPTALDH1A1

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 2 patents. 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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed