SCHEMBL27687488

SCHEMBL27687488

CCCCNc1c(-c2ccc(C#Cc3ccncc3)s2)nc2cnccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
ATM Q13315 4/20 0.43
APAF1 O14727 1/20 0.43
TLR9 Q9NR96 2/20 0.41
CDK9 P50750 1/20 0.41
IDE P14735 1/20 0.40
SALL4 Q9UJQ4 1/20 0.37
TRIM24 O15164 2/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TRIM33 Q9UPN9 4/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL5128028 0.94 BRD4 (0.48) BRD4ATMAPAF1TLR9CDK9
SCHEMBL5122848 0.91 BRD4 (0.45) BRD4ATMAPAF1TLR9CDK9
SCHEMBL27687434 0.91 BRD4 (0.47) BRD4ATMAPAF1TLR9CDK9
SCHEMBL5129310 0.88 CDK9 (0.44) BRD4ATMAPAF1TLR9CDK9
SCHEMBL28770318 0.88 BRD4 (0.52) BRD4ATMAPAF1TLR9CDK9
SCHEMBL27706739 0.86 BRD4 (0.52) BRD4ATMAPAF1TLR9CDK9
SCHEMBL5118754 0.83 CDK9 (0.45) BRD4CDK9SALL4TRIM24GAA
SCHEMBL5118638 0.82 SALL4 (0.46) BRD4ATMCDK9SALL4TRIM24
Hydrochloric Acid SCHEMBL5123040 0.82 SALL4 (0.46) BRD4ATMCDK9SALL4TRIM24
SCHEMBL5113389 0.80 BRD4 (0.48) BRD4ATMAPAF1TLR9CDK9

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
CN-101061118-A Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2007-10-24 CN claimed
CN-101061118-A Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2007-10-24 CN disclosed