SCHEMBL7777464

SCHEMBL7777464

COc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
KDR P35968 2/20 0.61
AURKA O14965 1/20 0.61
ERBB2 P04626 1/20 0.61
INSR P06213 1/20 0.61
FBP1 P09467 1/20 0.61
PDGFRB P09619 1/20 0.61
FLT4 P35916 1/20 0.61
CLK1 P49759 1/20 0.61
EPHB4 P54760 1/20 0.61
TEK Q02763 1/20 0.61
AURKB Q96GD4 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ERBB3 P21860 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL28056977 0.89 EGFR (0.55) EGFRKDRAURKAERBB2INSR
SCHEMBL2203223 0.86 EGFR (0.55) EGFRKDRAURKAERBB2INSR
SCHEMBL7771232 0.85 MEN1 (0.70) EGFRKDRAURKAERBB2INSR
SCHEMBL7777468 0.82 EGFR (0.74) EGFRKDRAURKAERBB2INSR
SCHEMBL7775667 0.82 EGFR (0.60) EGFRERBB3
SCHEMBL1387327 0.81 APP (0.62) EGFRKDRAURKAERBB2INSR
SCHEMBL7775673 0.79 EGFR (0.57) EGFRKDRMEN1KMT2AERBB3
SCHEMBL19089669 0.79 EGFR (0.49) EGFRKDRAURKAERBB2INSR
SCHEMBL690919 0.79 NPC1 (0.55) EGFRKDRAURKAERBB2INSR
SCHEMBL7777444 0.79 EGFR (0.57) EGFRKDRAURKAERBB2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed