SCHEMBL8484445

SCHEMBL8484445

CN1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.62
ERBB2 P04626 8/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
BRAF P15056 9/20 0.46
ERBB4 Q15303 3/20 0.46
GRM1 Q13255 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCL6 P41182 1/20 0.44

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
SCHEMBL6997415 0.89 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488618 0.87 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8485204 0.86 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL8320166 0.84 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487136 0.84 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6992397 0.84 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.84 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL7001526 0.84 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.83 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.83 EGFR (0.70) 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