SCHEMBL7442425

SCHEMBL7442425

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.40
AGTR1 P30556 3/20 0.31
AGTR2 P50052 3/20 0.31

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
SCHEMBL7446015 0.84 TSHR (0.39) AGTR1AGTR2
SCHEMBL7449121 0.83 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL7429051 0.83 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL7442286 0.83 SMN1; SMN2 (0.39) AGTR1AGTR2
SCHEMBL7439909 0.82 MAP2K1 (0.34) MAP2K1AGTR1
SCHEMBL7440753 0.82 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL7442728 0.82 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL7445818 0.82 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL7433640 0.81 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL7446270 0.81 BRD4 (0.32)

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