SCHEMBL6993386

SCHEMBL6993386

COc1cc2c(Nc3ccc(Oc4ccncc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 1.00
RAF1 P04049 2/20 0.87
MAPK3 P27361 1/20 0.87
MAPK1 P28482 1/20 0.87
IGF1R P08069 1/20 0.72
EGFR P00533 1/20 0.71
ERBB2 P04626 1/20 0.71
ABL1 P00519 1/20 0.71
BCR P11274 1/20 0.71
SRC P12931 1/20 0.71

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
SCHEMBL346145 0.93 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6991654 0.93 MAP2K1 (0.87) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL4448781 0.91 MAP2K1 (0.84) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL4451324 0.91 MAP2K1 (0.90) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL4454646 0.91 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL4447752 0.90 MAP2K1 (0.86) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6995929 0.90 MAP2K1 (0.85) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL14040784 0.88 MAP2K1 (0.79) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL14116957 0.86 MAP2K1 (0.82) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL4447762 0.85 MAP2K1 (0.81) MAP2K1RAF1MAPK3MAPK1IGF1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed