SCHEMBL7448323

SCHEMBL7448323

Cc1cc(N(C)c2ccc(C(=O)c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
LTC4S Q16873 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 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
SCHEMBL7440843 0.89 DPP4 (0.37) DPP4LTC4S
SCHEMBL7438702 0.85 DPP4 (0.42) DPP4UBE2MDCUN1D1
SCHEMBL7436891 0.81 DPP4 (0.40) DPP4ALDH1A1UBE2MDCUN1D1
SCHEMBL7448358 0.80 KCNN3 (0.42) RAB9A
SCHEMBL7448486 0.80 DPP4 (0.38) DPP4UBE2MDCUN1D1
SCHEMBL7449543 0.80 DPP4 (0.38) DPP4UBE2MDCUN1D1
SCHEMBL7436338 0.78 DPP4 (0.38) DPP4UBE2MDCUN1D1
SCHEMBL7444456 0.78 DPP4 (0.38) DPP4UBE2MDCUN1D1
SCHEMBL7440913 0.78 DPP4 (0.37) DPP4UBE2MDCUN1D1
SCHEMBL7447045 0.77 DPP4 (0.37) DPP4UBE2MDCUN1D1

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