SCHEMBL6380678

SCHEMBL6380678

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccccc3SC)c(C#N)cnc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.54
MAP2K1 Q02750 7/20 0.54
IGF1R P08069 1/20 0.53
RAF1 P04049 1/20 0.52
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
FYN P06241 1/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52

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
SCHEMBL6380651 0.84 MAP2K1 (0.74) SRCMAP2K1IGF1RRAF1MAPK3
SCHEMBL6994143 0.84 MAP2K1 (0.73) SRCMAP2K1IGF1RRAF1MAPK3
SCHEMBL6380685 0.84 SRC (0.61) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6382853 0.83 EGFR (0.58) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6383464 0.82 SRC (0.64) SRCFYNABL1BCR
SCHEMBL6383950 0.82 SRC (0.50) SRCMAP2K1
SCHEMBL6386676 0.82 SRC (0.57) SRCMAP2K1IGF1RRAF1MAPK3
SCHEMBL7001142 0.81 MAP2K1 (0.65) SRCMAP2K1IGF1RRAF1MAPK3
SCHEMBL6995934 0.81 MAP2K1 (0.62) SRCMAP2K1IGF1RRAF1MAPK3
SCHEMBL7003202 0.81 MAP2K1 (0.75) SRCMAP2K1IGF1RRAF1MAPK3

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