SCHEMBL7445707

SCHEMBL7445707

Cc1cc(N(C)c2ccc(C(Cc3ccccc3)c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
KCNN3 Q9UGI6 2/20 0.35
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TSHR P16473 1/20 0.31
KCNN1 Q92952 1/20 0.30
KCNN2 Q9H2S1 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7441954 0.96 DPP4 (0.42) DPP4KCNN3UBE2MDCUN1D1TSHR
SCHEMBL7442460 0.89 DPP4 (0.41) DPP4KCNN3KCNN1KCNN2
SCHEMBL7441912 0.86 DPP4 (0.41) DPP4KCNN3
SCHEMBL7429133 0.81 DPP4 (0.41) DPP4KCNN3UBE2MDCUN1D1TSHR
SCHEMBL7443212 0.81 DPP4 (0.41) DPP4KCNN3UBE2MDCUN1D1TSHR
SCHEMBL7445717 0.81 KCNN3 (0.48) DPP4KCNN3KCNN1KCNN2
SCHEMBL7441964 0.78 KCNN3 (0.47) DPP4KCNN3KCNN1KCNN2
SCHEMBL7438702 0.76 DPP4 (0.42) DPP4UBE2MDCUN1D1TSHRSMN1; SMN2
SCHEMBL7445460 0.73 DPP4 (0.39) DPP4UBE2MDCUN1D1TSHRSMN1; SMN2
SCHEMBL7436891 0.73 DPP4 (0.40) DPP4UBE2MDCUN1D1TSHRSMN1; 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-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