SCHEMBL7775667

SCHEMBL7775667

Fc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.60
ERBB3 P21860 4/20 0.60
MAPK1 P28482 1/20 0.55
TNNI3K Q59H18 3/20 0.54
SCN9A Q15858 1/20 0.52
GRM1 Q13255 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APP P05067 1/20 0.48
KMO O15229 1/20 0.48
SOS1 Q07889 1/20 0.48

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
SCHEMBL7775673 0.91 EGFR (0.57) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL1387327 0.89 APP (0.62) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL690919 0.87 NPC1 (0.55) EGFRERBB3MAPK1GRM1KMO
SCHEMBL7771255 0.86 EGFR (0.62) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL1095277 0.86 MAPK1 (0.61) EGFRERBB3MAPK1SCN9AGRM1
SCHEMBL7771232 0.86 MEN1 (0.70) EGFRERBB3TNNI3KSCN9AMAPT
SCHEMBL1387236 0.86 NPC1 (0.66) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL7777361 0.86 EGFR (0.49) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL2837168 0.83 EGFR (0.56) EGFRERBB3MAPK1TNNI3KGRM1
SCHEMBL7776032 0.83 EGFR (0.55) EGFRERBB3MAPK1TNNI3KGRM1

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