SCHEMBL7001734

SCHEMBL7001734

Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3ccc([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.69
MAP2K1 Q02750 15/20 0.69
MAPK3 P27361 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP3K1 Q13233 1/20 0.57
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57

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
SCHEMBL4453743 0.86 IGF1R (0.75) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL5254528 0.86 IGF1R (0.75) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2204809 0.86 IGF1R (0.81) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL7001957 0.82 IGF1R (0.71) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL2200467 0.82 IGF1R (0.67) IGF1RMAP2K1EGFRERBB2
SCHEMBL4443456 0.82 IGF1R (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4454660 0.81 MAP2K1 (1.00) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL4094649 0.81 IGF1R (0.75) IGF1RMAP2K1EGFR
SCHEMBL5258048 0.81 IGF1R (0.75) IGF1RMAP2K1EGFR
SCHEMBL2966953 0.81 IGF1R (0.75) IGF1RMAP2K1EGFR

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 disclosed
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 disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed