SCHEMBL7778638

SCHEMBL7778638

COC(=O)COc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.51
EGFR P00533 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
ERBB3 P21860 4/20 0.48
CDK4 P11802 1/20 0.47
APP P05067 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 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
SCHEMBL7775606 0.88 SYK (0.48) SYKEGFRMEN1KMT2AMAPT
SCHEMBL1387439 0.88 EGFR (0.49) SYKEGFRERBB3CDK4ABL1
SCHEMBL1387307 0.87 CDK4 (0.50) EGFRMEN1KMT2AMAPTERBB3
SCHEMBL7771232 0.83 MEN1 (0.70) EGFRMEN1KMT2AMAPTERBB3
SCHEMBL7775654 0.83 ALDH1A1 (0.52) EGFRMEN1KMT2AMAPTERBB3
SCHEMBL7778702 0.83 MEN1 (0.51) EGFRMEN1KMT2AMAPTCDK4
SCHEMBL7771263 0.81 EGFR (0.52) EGFRMEN1KMT2AMAPTERBB3
SCHEMBL8799684 0.79 KCNH2 (0.47) EGFRMEN1KMT2AMAPTERBB3
SCHEMBL7775667 0.78 EGFR (0.60) EGFRMAPTERBB3APPSMN1; SMN2
SCHEMBL1387327 0.77 APP (0.62) EGFRMEN1KMT2AERBB3APP

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