SCHEMBL7776032

SCHEMBL7776032

Cc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.55
TNNI3K Q59H18 4/20 0.53
FGFR1 P11362 1/20 0.51
ERBB3 P21860 2/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
MAPK1 P28482 1/20 0.48
APP P05067 1/20 0.48
ERBB2 P04626 2/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM1 Q13255 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL7771255 0.87 EGFR (0.62) EGFRTNNI3KERBB3MAPK1KDR
SCHEMBL1387327 0.87 APP (0.62) EGFRTNNI3KERBB3RAPGEF4MAPK1
SCHEMBL691545 0.86 EGFR (0.51) EGFRTNNI3KERBB3MAPK1ERBB2
SCHEMBL7775673 0.86 EGFR (0.57) EGFRTNNI3KERBB3MAPK1KDR
SCHEMBL1387302 0.84 EGFR (0.72) EGFRTNNI3KERBB3MAPK1ERBB2
SCHEMBL2837168 0.84 EGFR (0.56) EGFRTNNI3KERBB3MAPK1ERBB2
SCHEMBL7777468 0.83 EGFR (0.74) EGFRTNNI3KFGFR1ERBB3MAPK1
SCHEMBL7775667 0.83 EGFR (0.60) EGFRTNNI3KERBB3MAPK1APP
SCHEMBL7777514 0.82 TNNI3K (0.53) EGFRTNNI3KRAPGEF4MAPK1KDR
SCHEMBL2782010 0.81 EGFR (0.65) EGFRTNNI3KERBB3ERBB2MEN1

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-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US 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