SCHEMBL13634795

SCHEMBL13634795

N#Cc1cccc(CNc2ccc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)[nH]c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.58
NAMPT P43490 2/20 0.37
CNR1 P21554 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
ROCK2 O75116 1/20 0.36
LRRK2 Q5S007 1/20 0.34
RECQL P46063 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CCR4 P51679 1/20 0.34
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
BRD4 O60885 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
SCHEMBL13635159 0.92 P2RY12 (0.60) P2RY12NAMPTCNR1TP53MAPT
SCHEMBL13635059 0.91 P2RY12 (0.61) P2RY12NAMPTTP53MAPTROCK2
SCHEMBL13635261 0.90 P2RY12 (0.64) P2RY12TP53MAPTRECQLHSP90AA1
SCHEMBL13635117 0.89 P2RY12 (0.62) P2RY12NAMPTTP53MAPTRECQL
SCHEMBL13635077 0.89 P2RY12 (0.64) P2RY12NAMPTCNR1TP53MAPT
SCHEMBL13634804 0.88 P2RY12 (0.59) P2RY12NAMPTTP53MAPTRECQL
SCHEMBL13634834 0.87 P2RY12 (0.62) P2RY12TP53MAPTRECQLHSP90AA1
SCHEMBL13635072 0.87 P2RY12 (0.64) P2RY12TP53MAPTHSP90AA1RXFP1
SCHEMBL13635048 0.87 P2RY12 (0.64) P2RY12TP53MAPTRECQLHSP90AA1
SCHEMBL13635053 0.87 P2RY12 (0.58) P2RY12NAMPTTP53MAPTRECQL

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-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed