SCHEMBL7239509

SCHEMBL7239509

O=C(C#CCN1CCOCC1)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.72
ERBB2 P04626 17/20 0.72
ERBB4 Q15303 11/20 0.72
JAK3 P52333 3/20 0.60
BTK Q06187 1/20 0.50
MAPK13 O15264 1/20 0.49
SRC P12931 1/20 0.49
MAP3K8 P41279 1/20 0.49
MAPK12 P53778 1/20 0.49
MAP2K1 Q02750 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL7236868 0.92 ERBB2 (0.69) EGFRERBB2ERBB4JAK3AURKA
SCHEMBL7236783 0.90 EGFR (0.65) EGFRERBB2ERBB4JAK3BTK
SCHEMBL7245617 0.90 EGFR (0.73) EGFRERBB2ERBB4BTKAURKA
SCHEMBL7234893 0.83 EGFR (0.57) EGFRERBB2ERBB4JAK3BTK
SCHEMBL7237640 0.82 EGFR (0.63) EGFRERBB2ERBB4JAK3BTK
SCHEMBL7243805 0.82 EGFR (0.66) EGFRERBB2ERBB4JAK3
SCHEMBL7116202 0.82 EGFR (0.71) EGFRERBB2ERBB4JAK3
SCHEMBL7239992 0.81 EGFR (0.75) EGFRERBB2ERBB4JAK3BTK
SCHEMBL7127934 0.81 EGFR (0.70) EGFRERBB2ERBB4BTKAURKA
SCHEMBL7239963 0.81 EGFR (0.72) EGFRERBB2ERBB4JAK3MAP2K1

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 3 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
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed