SCHEMBL6380759

SCHEMBL6380759

COc1ccc2c(Nc3ccc(Cl)cc3F)c(C#N)cnc2c1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.64
FYN P06241 2/20 0.64
EGFR P00533 3/20 0.59
ERBB2 P04626 2/20 0.59
MAP3K8 P41279 1/20 0.58
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
FGFR1 P11362 2/20 0.55
FLT1 P17948 2/20 0.55
KDR P35968 2/20 0.55
FLT4 P35916 1/20 0.55

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
SCHEMBL6383464 0.94 SRC (0.64) SRCFYNEGFRERBB2MAP3K8
SCHEMBL6383146 0.89 EGFR (0.75) SRCFYNEGFRERBB2MAP3K8
SCHEMBL6382249 0.86 SRC (0.86) SRCFYNEGFRERBB2ABL1
SCHEMBL6380451 0.86 SRC (0.86) SRCFYNEGFRERBB2ABL1
SCHEMBL5258979 0.84 SRC (0.69) SRCFYNEGFRERBB2ABL1
SCHEMBL6382264 0.83 EGFR (0.57) SRCFYNEGFRERBB2MAP3K8
SCHEMBL6387094 0.83 SRC (0.70) SRCEGFRERBB2ABL1BCR
SCHEMBL5254690 0.81 SRC (0.69) SRCFYNEGFRERBB2ABL1
SCHEMBL6379750 0.81 EGFR (0.60) SRCEGFRERBB2
SCHEMBL5255645 0.81 EGFR (0.67) SRCEGFRERBB2MAP3K8

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