SCHEMBL7448477

SCHEMBL7448477

Cc1cc(CNc2ccc(-c3ccccc3C(=O)O)cc2)n2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PPARG P37231 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
BDKRB1 P46663 1/20 0.39
OPRL1 P41146 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL7442147 0.88 FNTA (0.41) FNTAFNTBPPARGKDM4CLTB4R2
SCHEMBL7439826 0.83 F10 (0.35) KDR
SCHEMBL7443167 0.82 KDM4E (0.50) OPRL1KDRKDM4EUSP2ALDH1A1
SCHEMBL7442026 0.77 PPARG (0.39) PPARGKDM4CKDM4EUSP2ALDH1A1
SCHEMBL7438975 0.76 KDM4E (0.39) PPARGKDM4EALDH1A1
SCHEMBL7437229 0.74 PRKAB2 (0.44) PPARGKDM4EALDH1A1AGTR1
SCHEMBL7445094 0.73 BDKRB1 (0.33) BDKRB1AGTR1
SCHEMBL7431509 0.72 PRKAB2 (0.38) AGTR1
SCHEMBL8555494 0.69 HPGD (0.51) KDM4EALDH1A1
SCHEMBL21200773 0.66 PDE10A (0.43) KDM4CKDRKDM4EALDH1A1

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-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-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