SCHEMBL4767309

SCHEMBL4767309

Cn1cnc2c(=O)nc(Cc3c(F)ccc(Cl)c3F)n(-c3ccc(Cl)cc3)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.35
MPO P05164 1/20 0.33
MET P08581 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM1 Q13255 2/20 0.31
PDE4B Q07343 2/20 0.30
PDE4D Q08499 2/20 0.30

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
SCHEMBL4524591 0.84 POLB (0.36) BRD9MPOMETTP53MAPT
SCHEMBL4777218 0.83 CYP2C19 (0.33) GRM1
SCHEMBL4776024 0.82 POLB (0.38) BRD9TP53MAPTHTTPDE4B
SCHEMBL4777997 0.81 TSHR (0.39) BRD9TP53MAPT
SCHEMBL4511040 0.80 LMNA (0.36) BRD9MPOMAPTGRM1
SCHEMBL4769786 0.79 LMNA (0.41) BRD9TP53MAPTHTT
SCHEMBL4513062 0.78 DRD1 (0.36) BRD9METTP53MAPTHTT
SCHEMBL4778022 0.76 P2RX7 (0.39) TP53HTT
SCHEMBL4772408 0.76 TRPV4 (0.33) MPOTP53
SCHEMBL4526123 0.76 TSHR (0.35) BRD9TP53MAPTHTTTDP1

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-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed