SCHEMBL8920069

SCHEMBL8920069

CCc1cc(Nc2ccc(C(=O)Nc3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
GPR35 Q9HC97 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 5/20 0.33
ABCB1 P08183 1/20 0.33
ADCY8 P40145 2/20 0.33

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 SCHEMBL7438365 0.99 AGTR1 (0.39) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7447901 0.84 AGTR1 (0.41) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7440876 0.76 AGTR1 (0.51) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7437229 0.74 PRKAB2 (0.44) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7446686 0.73 KCNN3 (0.40) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7440984 0.73 AGTR1 (0.51) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7440794 0.72 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7434311 0.72 AGTR1 (0.45) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7437937 0.71 PTPN1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438686 0.71 PRKAB2 (0.43) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1

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
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed