SCHEMBL7438436

SCHEMBL7438436

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2cc(C(=O)O)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
VCP P55072 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7445837 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7439089 0.83 AGTR1 (0.40) AGTR1SMN1; SMN2
SCHEMBL7440524 0.82 AGTR1 (0.41) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7434517 0.81 AGTR1 (0.41) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL7432707 0.80 AGTR1 (0.40) AGTR1AGTR2SMN1; SMN2MEN1NPC1
SCHEMBL7438414 0.79 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL7438223 0.78 GAA (0.62) AGTR1AGTR2SMN1; SMN2MEN1NPC1
SCHEMBL7438720 0.78 KCNN3 (0.47) AGTR1AGTR2MEN1NPC1RAB9A
SCHEMBL9709886 0.77 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2AVCP
SCHEMBL7431048 0.75 AGTR1 (0.41) AGTR1AGTR2

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