SCHEMBL8487996

SCHEMBL8487996

CC(=O)N1CCC(C2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.69
ERBB2 P04626 5/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
BRAF P15056 9/20 0.47
DYRK1A Q13627 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ERBB4 Q15303 1/20 0.45

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
SCHEMBL8483719 0.92 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483717 0.92 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8485588 0.91 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989673 0.89 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488242 0.89 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999402 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487889 0.87 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6992486 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993371 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL4353234 0.86 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 1 patent. 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