SCHEMBL7771237

SCHEMBL7771237

Cc1cccc(Nc2cc(Nc3cccc(OCC(O)CN(C)C)c3)ncn2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.69
CDK2 P24941 13/20 0.63
CCNE1 P24864 1/20 0.58
HIF1A Q16665 1/20 0.56
EGFR P00533 1/20 0.52

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
SCHEMBL1387518 0.93 CDK4 (0.82) CDK4CDK2CCNE1
SCHEMBL7775688 0.86 KDM4E (0.54) CDK4CDK2EGFR
SCHEMBL7775630 0.81 EGFR (0.54) CDK4CDK2CCNE1EGFR
SCHEMBL7777479 0.80 EGFR (0.53) CDK4EGFR
SCHEMBL23752463 0.77 CDK4 (1.00) CDK4CDK2CCNE1
SCHEMBL23752462 0.77 CDK4 (1.00) CDK4CDK2CCNE1
SCHEMBL23752603 0.77 CDK4 (1.00) CDK4CDK2CCNE1
SCHEMBL1387302 0.75 EGFR (0.72) HIF1AEGFR
SCHEMBL7777484 0.75 EGFR (0.56) EGFR
SCHEMBL7771258 0.74 EGFR (0.55) EGFR

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