SCHEMBL7005564

SCHEMBL7005564

OCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 1.00
EGFR P00533 13/20 0.70
AURKB Q96GD4 2/20 0.56
ERBB4 Q15303 2/20 0.56
CHEK2 O96017 1/20 0.56
ROS1 P08922 1/20 0.56
FLT3 P36888 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
PI4KB Q9UBF8 1/20 0.47

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
Hydrochloric Acid SCHEMBL7013332 0.99 ERBB2 (0.98) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4359057 0.89 ERBB2 (0.79) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL27518939 0.88 ERBB2 (0.78) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7005311 0.87 ERBB2 (1.00) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7890178 0.87 ERBB2 (0.77) ERBB2EGFRAURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL7007100 0.87 ERBB2 (0.98) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7909698 0.86 ERBB2 (0.75) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7007362 0.85 ERBB2 (1.00) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4560760 0.85 ERBB2 (0.73) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL3320898 0.85 ERBB2 (0.73) ERBB2EGFRAURKBERBB4CHEK2

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 8 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
EP-0912572-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed