SCHEMBL7012728

SCHEMBL7012728

Cc1nc(C)c(N)c(Nc2c[c]ccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPY5R Q15761 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 3/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CB P42338 2/20 0.30
MTOR P42345 2/20 0.30
PIK3CG P48736 2/20 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
SCHEMBL6386739 0.79 NR1I2 (0.38) NR1I2AHR
SCHEMBL6386722 0.78 ALDH1A1 (0.46) KMT2AMEN1
SCHEMBL6426194 0.77 ALDH1A1 (0.37) NPY5RKMT2APIK3CA
SCHEMBL7015120 0.77 L3MBTL1 (0.47) MAPTKMT2AMEN1CYP3A4MAPK1
SCHEMBL6384780 0.77 CYP1A2 (0.38) MAPTKMT2AMEN1
SCHEMBL7016784 0.76 ALDH1A1 (0.33) TP53MAPTNR1I2AHRKMT2A
SCHEMBL7016378 0.75 ALDH1A1 (0.34) TP53MAPTKMT2AMEN1
SCHEMBL7018790 0.70 ALDH1A1 (0.33) NR1I2AHRKMT2AMEN1PIK3CA
SCHEMBL7100649 0.70 MAPT (0.42) MAPTKMT2AMEN1CYP3A4MAPK1
SCHEMBL6386562 0.70 PIK3CA (0.39) EGFRTP53CYP3A4MAPK1PIK3CA

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-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed