SCHEMBL27386751

SCHEMBL27386751

C#Cc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1CN

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.61
KIF5B P33176 6/20 0.59
EGFR P00533 6/20 0.58
FBP1 P09467 2/20 0.58
GAK O14976 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KDR P35968 6/20 0.57
FLT1 P17948 1/20 0.56
ILK Q13418 1/20 0.54

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
SCHEMBL27719215 0.91 FBP1 (0.60) RETKIF5BEGFRFBP1GAK
SCHEMBL1507462 0.87 RET (0.70) RETKIF5BEGFRFBP1GAK
SCHEMBL4127912 0.79 FBP1 (0.64) RETKIF5BEGFRFBP1GAK
SCHEMBL3172507 0.78 EGFR (0.67) RETKIF5BEGFRFBP1GAK
SCHEMBL27386749 0.78 EGFR (0.62) RETKIF5BEGFRFBP1GAK
SCHEMBL27388530 0.78 EGFR (0.72) RETKIF5BEGFRFBP1GAK
Hydrochloric Acid SCHEMBL1507513 0.78 EGFR (0.63) RETKIF5BEGFRFBP1GAK
SCHEMBL31747062 0.77 RET (0.74) RETKIF5BEGFRFBP1ALDH1A1
SCHEMBL4116471 0.76 EGFR (0.60) RETKIF5BEGFRFBP1GAK
SCHEMBL20709190 0.76 RET (0.69) RETKIF5BEGFRFBP1KDR

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
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN claimed
CN-101163468-A Novel combination of sulfonamide compounds EISAI R&D MAN CO LTD (JP) 2008-04-16 CN disclosed
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN disclosed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN disclosed