SCHEMBL7012807

SCHEMBL7012807

CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.65
EGFR P00533 12/20 0.58
ERBB4 Q15303 2/20 0.44
CHEK2 O96017 1/20 0.42
ROS1 P08922 1/20 0.42
FLT3 P36888 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
Dimethylamine SCHEMBL7099762 0.93 ERBB2 (0.65) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL7009350 0.92 ERBB2 (0.66) ERBB2EGFRERBB4
SCHEMBL7006741 0.92 ERBB2 (0.66) ERBB2EGFRERBB4
Hydrochloric Acid SCHEMBL7007235 0.91 ERBB2 (0.65) ERBB2EGFR
Hydrochloric Acid SCHEMBL7095291 0.91 ERBB2 (0.65) ERBB2EGFR
Hydrochloric Acid SCHEMBL7915742 0.91 ERBB2 (0.65) ERBB2EGFR
SCHEMBL7008329 0.90 ERBB2 (0.62) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL7010824 0.87 ERBB2 (0.65) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL7007843 0.87 ERBB2 (0.65) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL8311139 0.83 ERBB2 (0.58) 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