SCHEMBL12629699

SCHEMBL12629699

[C-]#[N+]c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.63
MAPK3 P27361 1/20 0.42
MAPK10 P53779 1/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
DYRK3 O43781 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL12629696 0.90 TRPV1 (0.49) TRPV1GAKRIPK2KDRMAPK14
SCHEMBL12629701 0.90 TRPV1 (0.72) TRPV1MAPK3
SCHEMBL12629831 0.88 TRPV1 (0.48) TRPV1GAKKDRDYRK3GSK3A
SCHEMBL1859233 0.84 TRPV1 (0.62) TRPV1MAPK3MAPK10GAKDYRK3
SCHEMBL12629700 0.82 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL1863016 0.81 TRPV1 (0.65) TRPV1MAPK3MAPK10GAKDYRK3
SCHEMBL5117433 0.80 TRPV1 (0.66) TRPV1MAPK3MAPK10GAKRIPK2
SCHEMBL5113971 0.79 TRPV1 (0.65) TRPV1MAPK3MAPK10GAKDYRK3
SCHEMBL12629704 0.79 TRPV1 (0.57) TRPV1MAPK3GAK
SCHEMBL1860053 0.78 TRPV1 (0.64) TRPV1MAPK3MAPK10GAK

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
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed