SCHEMBL7009047

SCHEMBL7009047

CS(=O)(=O)CCCNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.91
EGFR P00533 12/20 0.91

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
SCHEMBL2202476 0.95 ERBB2 (1.00) ERBB2EGFR
Hydrochloric Acid SCHEMBL7007221 0.95 ERBB2 (0.98) ERBB2EGFR
SCHEMBL7005290 0.90 ERBB2 (0.85) ERBB2EGFR
Hydrochloric Acid SCHEMBL7901747 0.90 ERBB2 (0.84) ERBB2EGFR
SCHEMBL4352951 0.88 ERBB2 (0.86) ERBB2EGFR
SCHEMBL2100500 0.88 ERBB2 (0.85) ERBB2EGFR
Hydrochloric Acid SCHEMBL3318962 0.88 ERBB2 (0.85) ERBB2EGFR
Hydrochloric Acid SCHEMBL5430245 0.87 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2100829 0.87 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2101373 0.85 ERBB2 (0.81) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP claimed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US claimed
EP-0912572-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP disclosed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US disclosed