SCHEMBL7434976

SCHEMBL7434976

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(C(=O)O)c2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.34
MAPT P10636 1/20 0.33
AGTR2 P50052 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7438663 0.91 KDM4E (0.43) AGTR1MAPTAGTR2KDM4EALDH1A1
SCHEMBL7442467 0.90 TRPA1 (0.30)
SCHEMBL7445765 0.88 AGTR1 (0.31) AGTR1
SCHEMBL7442646 0.87 GSK3B (0.36) AGTR1AGTR2
SCHEMBL7445264 0.87 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL7433797 0.86
SCHEMBL7447253 0.85
SCHEMBL7440098 0.85 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL7427170 0.85 CSNK2A1 (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7431014 0.83 KDM4E (0.35) AGTR1MAPTAGTR2KDM4EALDH1A1

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