SCHEMBL1829720

SCHEMBL1829720

NC(=O)OCC(=O)Nc1nc2ccc(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
NPC1 O15118 8/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 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
SCHEMBL1836150 0.89 MAPT (0.42) RAB9ASMN1; SMN2NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL2547151 0.88 MAPT (0.42) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2547102 0.85 NPC1 (0.46) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL1828695 0.84 MAPT (0.42) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL2540705 0.84 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL2538170 0.84 PIK3CA (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL1836155 0.83 PCSK9 (0.37) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2543283 0.83 RAB9A (0.41) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL2547154 0.82 PCSK9 (0.36) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2541008 0.82 PIK3CA (0.49) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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