SCHEMBL15718488

SCHEMBL15718488

Cc1cnc(NC(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)c(C)nc3cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MCHR1 Q99705 3/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
GAA P10253 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CSNK1D P48730 2/20 0.39
CSNK1E P49674 2/20 0.39
SORT1 Q99523 1/20 0.39
DEGS1 O15121 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 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
SCHEMBL15718690 0.87 BTK (0.48) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL15718487 0.83 TRPV1 (0.47) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15739740 0.82 GRM5 (0.41) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15718631 0.82 RAB9A (0.50) GRM5MCHR1TRPV1MEN1KMT2A
SCHEMBL15718206 0.81 TRPV1 (0.46) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15739861 0.78 AKT1 (0.51) MCHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL15718945 0.77 RAB9A (0.42) GRM5MCHR1TRPV1MEN1KMT2A
SCHEMBL15717978 0.73 MKNK1 (0.48) GRM5GAATRPV1DEGS1MEN1
SCHEMBL15718329 0.72 CSNK1D (0.47) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL15718432 0.71 KDR (0.42) GRM5MCHR1TRPV1CSNK1DCSNK1E

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-2920177-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-09-23 EP disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed