SCHEMBL8487253

SCHEMBL8487253

c1cc(Nc2ncnc3cnc(N4CCOCC4)nc23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.53
NTRK1 P04629 1/20 0.50

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
SCHEMBL8316477 0.89 BRAF (0.64) BRAF
SCHEMBL8487628 0.88 BRAF (0.55) BRAFNTRK1
SCHEMBL8485805 0.86 BRAF (0.50) BRAFNTRK1
SCHEMBL6990834 0.83 BRAF (0.55) BRAFNTRK1
SCHEMBL8316098 0.82 ERBB2 (0.56) BRAF
SCHEMBL8488606 0.82 BRAF (0.52) BRAFNTRK1
SCHEMBL8483815 0.82 BRAF (0.54) BRAF
SCHEMBL8317331 0.81 BRAF (0.56) BRAF
SCHEMBL8320360 0.81 BRAF (0.56) BRAF
SCHEMBL8319713 0.81 EGFR (0.66) BRAF

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