SCHEMBL12834293

SCHEMBL12834293

CN1CC2(C1)CN(c1ccc(NC(=O)c3cnn(C4N=CC=C(c5ccc(N(C)C)cc5)N4)c3N)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
LRRK2 Q5S007 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 2/20 0.32
HCK P08631 2/20 0.32
SRC P12931 2/20 0.32
KDR P35968 2/20 0.32
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PTGS1 P23219 1/20 0.31
LOX P28300 1/20 0.31

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
SCHEMBL12834309 0.86 MEN1 (0.32) DGAT1LRRK2MAPTNR3C1ALDH1A1
SCHEMBL14089977 0.75 JAK2 (0.38) DGAT1LRRK2MAPTNR3C1CA12
SCHEMBL12834316 0.74 ABL1 (0.32) NR3C1IKBKETBK1
SCHEMBL12834302 0.71 F10 (0.38) LRRK2MAPTTP53ALDH1A1MAPK1
SCHEMBL12834292 0.68 CNR1 (0.44) LRRK2MAPTLMNAALDH1A1MAPK1
SCHEMBL12834310 0.68 LRRK2 (0.38) LRRK2MAPTNR3C1ALDH1A1RAB9A
SCHEMBL14089976 0.67 JAK2 (0.38) LRRK2MAPTNR3C1ALDH1A1CA2
SCHEMBL12834294 0.66 KIF18A (0.33)
SCHEMBL14091175 0.64 JAK2 (0.49) DGAT1MAPTTP53LCKHCK
SCHEMBL29438430 0.57 HSD17B10 (0.52) MAPTLMNATP53NR3C1ALDH1A1

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