SCHEMBL7446289

SCHEMBL7446289

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nc(N)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
AGTR1 P30556 12/20 0.41
AGTR2 P50052 11/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7442307 0.91 AGTR1 (0.44) BRD4AGTR1AGTR2LMNATP53
SCHEMBL7442745 0.90 AGTR1 (0.42) AGTR1AGTR2LMNATP53MAPT
SCHEMBL7437769 0.88 AGTR1 (0.42) AGTR1AGTR2LMNATP53MAPT
SCHEMBL7434002 0.86 AGTR1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL7446034 0.85 GAA (0.48) AGTR1AGTR2LMNA
SCHEMBL7436596 0.83 AGTR1 (0.42) AGTR1AGTR2LMNAPDE4APDE4B
SCHEMBL7440984 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7449306 0.82 AGTR2 (0.38) AGTR1AGTR2LMNA
SCHEMBL7440016 0.82 AGTR1 (0.41) AGTR1AGTR2LMNATP53MAPT
SCHEMBL7444493 0.82 AGTR1 (0.41) AGTR1AGTR2MAPT

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 4 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-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