SCHEMBL7777342

SCHEMBL7777342

Cc1cccc(Nc2cc(Nc3ccc(O)cc3)ncn2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.64
TNNI3K Q59H18 6/20 0.58
AURKA O14965 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ERBB3 P21860 2/20 0.47
ERBB2 P04626 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL7771269 0.89 EGFR (0.66) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL2782010 0.89 EGFR (0.65) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL1387302 0.89 EGFR (0.72) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL11235317 0.84 NPSR1 (0.70) AURKAMEN1KMT2ANPC1RAB9A
SCHEMBL690632 0.80 EGFR (0.62) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL1387422 0.80 EGFR (0.65) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL8798667 0.80 EGFR (0.61) EGFRTNNI3KRAB9ANPSR1ERBB2
SCHEMBL2632357 0.80 AURKA (0.65) AURKAMEN1KMT2ANPC1RAB9A
SCHEMBL7778617 0.79 EGFR (0.64) EGFRTNNI3KMEN1KMT2ANPC1
SCHEMBL8798355 0.79 EGFR (0.60) EGFRTNNI3KMEN1KMT2ANPC1

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