SCHEMBL7775673

SCHEMBL7775673

Fc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.57
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.52
ERBB3 P21860 4/20 0.51
TNNI3K Q59H18 2/20 0.49
GRM1 Q13255 1/20 0.49
KMO O15229 1/20 0.49
KDR P35968 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL7775667 0.91 EGFR (0.60) EGFRMAPK1ERBB3TNNI3KGRM1
SCHEMBL7771255 0.90 EGFR (0.62) EGFRMAPK1ERBB3TNNI3KGRM1
SCHEMBL1387327 0.87 APP (0.62) EGFRMEN1NPC1RAB9AKMT2A
SCHEMBL27468144 0.86 EGFR (0.61) EGFRMEN1KMT2AMAPK1ABCG2
SCHEMBL7776032 0.86 EGFR (0.55) EGFRMEN1NPC1RAB9AKMT2A
SCHEMBL2837168 0.86 EGFR (0.56) EGFRMAPK1ERBB3TNNI3KGRM1
SCHEMBL691545 0.86 EGFR (0.51) EGFRMEN1NPC1RAB9AKMT2A
SCHEMBL690919 0.84 NPC1 (0.55) EGFRNPC1MAPK1ERBB3GRM1
SCHEMBL7777514 0.84 TNNI3K (0.53) EGFRMAPK1TNNI3KGRM1KDR
SCHEMBL7554636 0.84 SOS1 (0.60) EGFRMEN1NPC1RAB9AKMT2A

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