SCHEMBL7449376

SCHEMBL7449376

Cc1cc(NCc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2cncc2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL7437917 0.90 AGTR1 (0.32)
SCHEMBL7445475 0.84 KCNN3 (0.41) TP53MAPTMEN1NPC1RAB9A
SCHEMBL7432707 0.81 AGTR1 (0.40) SMN1; SMN2TP53MAPTMEN1NPC1
SCHEMBL7440798 0.80 AGTR1 (0.32) TP53MAPTMEN1NPC1RAB9A
SCHEMBL7440104 0.79 KMT2A (0.43) SMN1; SMN2TP53MAPTMEN1NPC1
SCHEMBL7449367 0.79
SCHEMBL7435233 0.77 GSK3B (0.31) SMN1; SMN2
SCHEMBL7440140 0.74 PRKAB2 (0.48)
SCHEMBL7435614 0.73 GSK3B (0.42) MEN1NPC1RAB9AKMT2A
SCHEMBL7438648 0.72 AGTR1 (0.36) SMN1; SMN2

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