SCHEMBL8488643

SCHEMBL8488643

NC1CCC2(CC1)CCN(c1ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n1)CC2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.65
ERBB2 P04626 7/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
GRM1 Q13255 1/20 0.46
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
BRAF P15056 3/20 0.41
ERBB4 Q15303 2/20 0.41
FBP1 P09467 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8487772 0.96 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.91 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483882 0.89 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487643 0.89 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988633 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993907 0.86 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997654 0.86 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6361454 0.86 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.84 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484324 0.84 EGFR (0.62) EGFRERBB2MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed