SCHEMBL7777468

SCHEMBL7777468

COc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.74
ERBB3 P21860 6/20 0.74
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
TNNI3K Q59H18 2/20 0.56
MAPT P10636 3/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53

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
SCHEMBL7771232 0.88 MEN1 (0.70) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL7771255 0.84 EGFR (0.62) EGFRERBB3TNNI3KMAPK1AURKA
SCHEMBL7776032 0.83 EGFR (0.55) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691545 0.83 EGFR (0.51) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL7775673 0.83 EGFR (0.57) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL7777464 0.82 EGFR (0.61) EGFRERBB3MEN1KMT2AAURKA
SCHEMBL855961 0.81 EGFR (0.77) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL2837168 0.81 EGFR (0.56) EGFRERBB3TNNI3KMAPK1AURKA
SCHEMBL7775667 0.80 EGFR (0.60) EGFRERBB3TNNI3KMAPTMAPK1
SCHEMBL28056977 0.79 EGFR (0.55) EGFRERBB3MEN1KMT2AMAPK1

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