SCHEMBL7444077

SCHEMBL7444077

CCOC(=O)CN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1cc(CC)nc2c(Cl)cnn12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.34
AGTR2 P50052 7/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CXCR4 P61073 1/20 0.32
CMKLR1 Q99788 1/20 0.32

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
SCHEMBL7440186 0.93 AGTR1 (0.36) AGTR1AGTR2KDM4EMEN1MAPT
SCHEMBL7448995 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7432327 0.86 AGTR1 (0.36) AGTR1AGTR2CMKLR1
SCHEMBL7438075 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7438693 0.84 AGTR1 (0.35) AGTR1AGTR2CXCR4CMKLR1
SCHEMBL7435724 0.84 AGTR1 (0.36) AGTR1AGTR2KDM4EMAPTALDH1A1
SCHEMBL7440056 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7432972 0.82 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL7432985 0.81 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7434028 0.81 AGTR1 (0.34) AGTR1AGTR2KDM4EALDH1A1

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