SCHEMBL1387422

SCHEMBL1387422

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.65
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TNNI3K Q59H18 3/20 0.50
CDK4 P11802 6/20 0.49
ERBB3 P21860 5/20 0.49
ABL1 P00519 2/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
CDK2 P24941 4/20 0.45
BCR P11274 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
SCHEMBL7778617 0.94 EGFR (0.64) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL1387593 0.85 CDK2 (0.56) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL1387382 0.84 MEN1 (0.52) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL7771252 0.83 EGFR (0.60) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL7778634 0.82 EGFR (0.61) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL7777399 0.82 EGFR (0.55) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL7776029 0.81 MEN1 (0.54) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL8318193 0.81 EGFR (0.55) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL7771239 0.81 EGFR (0.54) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2782010 0.81 EGFR (0.65) EGFRMEN1KMT2ANPC1RAB9A

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 9 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 claimed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US claimed
JP-H09506363-A 1997-06-24 JP claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
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