SCHEMBL4385754

SCHEMBL4385754

Cn1nnc2cc(C(=O)NC3CCCn4c3nc(-c3ccncc3)cc4=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 2/20 0.39
AHR P35869 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
SCHEMBL2065321 0.82 KDM4E (0.43) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL2065134 0.82 GSK3B (0.46) HPGDMAPTRAB9ANPC1
SCHEMBL2066272 0.79 GRM5 (0.50) RAB9ANPC1
SCHEMBL2065337 0.79 SMN1; SMN2 (0.45) HPGDMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL3375649 0.78 GSK3B (0.40) MAPK1
SCHEMBL4386108 0.78 RAB9A (0.41) HPGDSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL2065605 0.77 BRAF (0.39)
SCHEMBL2064828 0.77 GSK3B (0.50)
SCHEMBL4390474 0.77 ALDH1A1 (0.46) HPGDMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4391262 0.76 ALDH1A1 (0.45) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed