SCHEMBL8487142

SCHEMBL8487142

NC1CCN(CCNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.64
ERBB2 P04626 4/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
MAPT P10636 1/20 0.53
LCK P06239 1/20 0.51
KDR P35968 1/20 0.51
GRM1 Q13255 1/20 0.46
BRAF P15056 2/20 0.45
CSNK2A1 P68400 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
SCHEMBL8312893 0.90 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317451 0.89 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317682 0.88 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997407 0.88 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314655 0.86 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993117 0.86 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315059 0.85 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL7587577 0.85 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584698 0.85 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991323 0.84 EGFR (0.61) EGFRERBB2HPGDHTTMAPT

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