SCHEMBL7448486

SCHEMBL7448486

Cc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)nc2)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 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
SCHEMBL7436547 0.89 DPP4 (0.37) DPP4
SCHEMBL7438702 0.87 DPP4 (0.42) DPP4TSHRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL7449543 0.82 DPP4 (0.38) DPP4TSHRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL7438261 0.82 DPP4 (0.34) DPP4UBE2MDCUN1D1
SCHEMBL7436891 0.82 DPP4 (0.40) DPP4TSHRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL7441498 0.81 DPP4 (0.37) DPP4UBE2MDCUN1D1
SCHEMBL7444456 0.80 DPP4 (0.38) DPP4TSHRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL7448323 0.80 DPP4 (0.38) DPP4UBE2MDCUN1D1
SCHEMBL7447045 0.79 DPP4 (0.37) DPP4UBE2MDCUN1D1
SCHEMBL7443560 0.79 DPP4 (0.36) DPP4

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