SCHEMBL7446388

SCHEMBL7446388

Cc1cc(N(C)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
AGTR1 P30556 5/20 0.36
AGTR2 P50052 5/20 0.36
MAPK8 P45983 1/20 0.36
BRD4 O60885 1/20 0.36
CRHR1 P34998 4/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL7444163 0.90 AGTR1 (0.32) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7440969 0.89 KDM4E (0.43) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7448815 0.87 TP53 (0.35) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7443450 0.86 RAB9A (0.35) MAPTTP53AGTR1AGTR2RAB9A
SCHEMBL7437565 0.84 MAPT (0.38) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7437420 0.81 AGTR1 (0.33) AGTR1AGTR2MAPK1HSD17B10ALOX15
SCHEMBL7437195 0.81 GSK3B (0.37) AGTR1AGTR2MAPK1HSD17B10ALOX15
SCHEMBL7438693 0.81 AGTR1 (0.35) AGTR1AGTR2CRHR1MAPK1HSD17B10
SCHEMBL7443472 0.81 KMT2A (0.57) MAPTTP53AGTR1AGTR2RAB9A
SCHEMBL7442737 0.79 CSNK2A1 (0.40) AGTR1AGTR2KDM4EALDH1A1HPGD

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