SCHEMBL7431014

SCHEMBL7431014

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nc(C(=O)O)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.32
CFTR P13569 2/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7444366 0.93 KDM4E (0.36) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL7440006 0.88 ABCB1 (0.35) KDM4EALDH1A1AGTR1AGTR2LMNA
SCHEMBL7436578 0.87 SMN1; SMN2 (0.31) AGTR1AGTR2
SCHEMBL7433989 0.86
SCHEMBL7436202 0.86
SCHEMBL7442350 0.85 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL7448463 0.84 CYP3A4 (0.30)
SCHEMBL7434976 0.83 AGTR1 (0.34) KDM4EALDH1A1HSD17B10AGTR1AGTR2
SCHEMBL7445818 0.83 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL7442759 0.83 AGTR1 (0.33) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed