SCHEMBL1836150

SCHEMBL1836150

NCC(=O)Nc1nc2ccc(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 7/20 0.41
PIK3CA P42336 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
OPRK1 P41145 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40

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
Hydrochloric Acid SCHEMBL2547151 0.99 MAPT (0.42) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1829720 0.89 RAB9A (0.48) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2540705 0.88 RAB9A (0.42) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1828695 0.88 MAPT (0.42) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2538170 0.88 PIK3CA (0.49) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2547102 0.87 NPC1 (0.46) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2543283 0.87 RAB9A (0.41) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2541008 0.85 PIK3CA (0.49) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL1836155 0.85 PCSK9 (0.37) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1841257 0.85 CASP3 (0.50) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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-2318414-A2 IMIDAZO [1,2-A] PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND USE AS MET INHIBITORS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010007318-A2 NOVEL IMIDAZO[1,2-A]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-01-21 WO disclosed