SCHEMBL8487409

SCHEMBL8487409

CN1CCC(N2CCC(Nc3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.90
ERBB2 P04626 5/20 0.90
HPGD P15428 1/20 0.90
HTT P42858 1/20 0.90
BCL6 P41182 2/20 0.56
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.47
BRAF P15056 2/20 0.46
AXL P30530 1/20 0.44
ERBB4 Q15303 2/20 0.43
JAK3 P52333 1/20 0.43
GRM1 Q13255 1/20 0.43

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
Falnidamol SCHEMBL158563 0.95 EGFR (1.00) EGFRERBB2HPGDHTTBCL6
Falnidamol SCHEMBL29387986 0.95 EGFR (1.00) EGFRERBB2HPGDHTTBCL6
Falnidamol SCHEMBL29409569 0.94 EGFR (0.98) EGFRERBB2HPGDHTTBCL6
Falnidamol SCHEMBL29403789 0.94 EGFR (0.98) EGFRERBB2HPGDHTTBCL6
SCHEMBL6989864 0.93 EGFR (0.84) EGFRERBB2HPGDHTTBCL6
SCHEMBL8483568 0.90 EGFR (0.75) EGFRERBB2HPGDHTTBCL6
SCHEMBL8315459 0.90 EGFR (0.90) EGFRERBB2HPGDHTTBCL6
SCHEMBL7001287 0.89 EGFR (0.76) EGFRERBB2HPGDHTTBCL6
SCHEMBL6990223 0.88 EGFR (0.73) EGFRERBB2HPGDHTTBCL6
SCHEMBL6993747 0.88 EGFR (0.75) EGFRERBB2HPGDHTTBCL6

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