SCHEMBL8488667

SCHEMBL8488667

Fc1ccc(Nc2ncnc3cnc(NCc4ccccn4)nc23)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.62
EGFR P00533 11/20 0.56
ERBB2 P04626 4/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
MAP3K8 P41279 2/20 0.51
GRM1 Q13255 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BRAF P15056 1/20 0.46
ERBB3 P21860 1/20 0.44
ERBB4 Q15303 1/20 0.44
FBP1 P09467 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
SCHEMBL8483667 0.84 EGFR (0.58) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6993122 0.83 EGFR (0.60) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6994800 0.82 EGFR (0.60) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL8490032 0.82 EGFR (0.57) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL8318375 0.81 EGFR (0.61) EGFRERBB2HPGDHTTGRM1
SCHEMBL6989432 0.81 STK17A (0.62) EGFRERBB2HPGDHTTGRM1
SCHEMBL8490245 0.81 EGFR (0.54) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6990324 0.80 STK17A (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL8315205 0.80 EGFR (0.53) CSNK2A1EGFRERBB2HPGDHTT
SCHEMBL6993332 0.80 EGFR (0.59) EGFRERBB2HPGDHTTGRM1

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