SCHEMBL7440248

SCHEMBL7440248

Cc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(C#N)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
CSNK2A1 P68400 7/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA2 P47869 1/20 0.33
MAPT P10636 5/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 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
SCHEMBL7427170 0.89 CSNK2A1 (0.35) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7443450 0.88 RAB9A (0.35) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7440969 0.87 KDM4E (0.43) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7441751 0.86 RAB9A (0.34) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7439328 0.86 RAB9A (0.38) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7429419 0.85 RAB9A (0.33) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7442755 0.83 AGTR1 (0.34) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7443918 0.83 MAPT (0.32) KDM4EALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7438702 0.80 DPP4 (0.42) SMN1; SMN2TSHR
SCHEMBL7440260 0.79 KMT2A (0.52) KDM4EALDH1A1MAPK1HSD17B10HPGD

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