SCHEMBL7239963

SCHEMBL7239963

O=C(C#CCN1CCOCC1)Nc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.72
ERBB2 P04626 18/20 0.72
ERBB4 Q15303 15/20 0.72
JAK3 P52333 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAP2K1 Q02750 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
SCHEMBL7237577 0.87 EGFR (0.73) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7239509 0.81 EGFR (0.72) EGFRERBB2ERBB4JAK3MAP2K1
SCHEMBL7240514 0.79 EGFR (0.67) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7236868 0.79 ERBB2 (0.69) EGFRERBB2ERBB4JAK3
SCHEMBL7233594 0.77 EGFR (0.67) EGFRERBB2ERBB4JAK3
SCHEMBL7220144 0.77 EGFR (1.00) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7116202 0.77 EGFR (0.71) EGFRERBB2ERBB4JAK3
SCHEMBL7234971 0.77 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7221044 0.76 EGFR (0.91) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7214306 0.75 EGFR (0.90) EGFRERBB2ERBB4JAK3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed