SCHEMBL1387307

SCHEMBL1387307

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.50
EGFR P00533 4/20 0.48
ERBB3 P21860 3/20 0.48
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
CDK2 P24941 7/20 0.47
CCNE1 P24864 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL7778638 0.87 SYK (0.51) CDK4EGFRERBB3ABL1PDGFRB
SCHEMBL7775606 0.86 SYK (0.48) CDK4EGFRERBB3ABL1PDGFRB
SCHEMBL1387439 0.86 EGFR (0.49) CDK4EGFRERBB3ABL1PDGFRB
SCHEMBL7775654 0.81 ALDH1A1 (0.52) EGFRERBB3ABL1MEN1KMT2A
SCHEMBL8320776 0.81 EGFR (0.53) CDK4EGFRERBB3ABL1PDGFRB
SCHEMBL7771263 0.80 EGFR (0.52) CDK4EGFRERBB3ABL1PDGFRB
SCHEMBL7771232 0.79 MEN1 (0.70) CDK4EGFRERBB3PDGFRBKDR
SCHEMBL7778702 0.79 MEN1 (0.51) CDK4EGFRABL1PDGFRBKIT
SCHEMBL1387236 0.77 NPC1 (0.66) EGFRERBB3PDGFRBKDREPHB4
SCHEMBL7775667 0.76 EGFR (0.60) EGFRERBB3MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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