SCHEMBL17597944

SCHEMBL17597944

N#Cc1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.50
IMPDH1 P20839 1/20 0.50
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
HASPIN Q8TF76 1/20 0.49
DYRK1A Q13627 3/20 0.49
CSNK2A1 P68400 1/20 0.42
LRRK2 Q5S007 2/20 0.39
SLC6A4 P31645 3/20 0.38
XDH P47989 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
SRC P12931 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL16920114 0.85 CSNK2A1 (0.60) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL27708724 0.77 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL10095346 0.77 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL12309698 0.76 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187814 0.76 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL14466424 0.76 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL20595048 0.74 CSNK2A1 (0.49) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL27680529 0.73 GPR84 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL578993 0.71 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL579303 0.71 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN

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
WO-2016040764-A1 CARBONYL LINKED BICYCLIC HETEROARYL N-BENZIMIDAZOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed