SCHEMBL7144902

SCHEMBL7144902

CN(c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.53
ERBB2 P04626 3/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.50
GPR119 Q8TDV5 2/20 0.48
BRAF P15056 4/20 0.47
EPHA2 P29317 2/20 0.45
KDR P35968 2/20 0.45
EPHB4 P54760 2/20 0.45
AURKB Q96GD4 1/20 0.44
CNR1 P21554 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL6997349 0.89 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL7582468 0.87 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL7582476 0.87 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993850 0.86 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6988538 0.86 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986988 0.85 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317587 0.85 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316553 0.82 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316549 0.82 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL7603145 0.82 EGFR (0.52) EGFRERBB2HPGDHTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed