SCHEMBL6380685

SCHEMBL6380685

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(O)cc3C)c(C#N)cnc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.61
FYN P06241 1/20 0.55
MAP2K1 Q02750 3/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
RAF1 P04049 1/20 0.50
MAPK3 P27361 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL6386676 0.89 SRC (0.57) SRCFYNMAP2K1RAF1MAPK3
SCHEMBL6380183 0.85 SRC (0.81) SRCFYNMAP2K1ABL1BCR
SCHEMBL6383464 0.85 SRC (0.64) SRCFYNABL1BCR
SCHEMBL6382264 0.84 EGFR (0.57) SRCFYNMAP2K1ABL1BCR
SCHEMBL6380678 0.84 SRC (0.54) SRCFYNMAP2K1ABL1BCR
SCHEMBL6382212 0.84 SRC (0.55) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6382844 0.82 SRC (0.53) SRCMAP2K1ABL1BCR
SCHEMBL6382853 0.82 EGFR (0.58) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6385112 0.81 MAP2K1 (0.57) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6382267 0.81 SRC (0.58) SRCFYNABL1BCR

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