SCHEMBL6384102

SCHEMBL6384102

N#Cc1cnc2c(N)cccc2c1Nc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
ERBB2 P04626 13/20 0.58
PRKCQ Q04759 1/20 0.45
GAK O14976 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAP3K8 P41279 1/20 0.41

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
SCHEMBL6383964 0.87 MAP3K8 (0.47) EGFRERBB2IDO1MAP3K8
SCHEMBL6379765 0.87 EGFR (0.57) EGFRERBB2GAKMAP3K8
SCHEMBL5888336 0.86 MAP2K1 (0.52) EGFRERBB2GAK
SCHEMBL6381724 0.86 EGFR (0.47) EGFRERBB2GAKTDO2
SCHEMBL6382153 0.86 EGFR (0.50) EGFRERBB2GAKIDO1
SCHEMBL6384067 0.86 EGFR (0.58) EGFRERBB2PRKCQGAKIDO1
SCHEMBL6383946 0.86 EGFR (0.61) EGFRERBB2GAK
SCHEMBL6381773 0.85 EGFR (0.60) EGFRERBB2IDO1TDO2
SCHEMBL6383708 0.84 EGFR (0.59) EGFRERBB2MAP3K8
SCHEMBL6384653 0.84 MAP3K8 (0.49) EGFRERBB2MAP3K8

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
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed