SCHEMBL4781863

SCHEMBL4781863

Cn1c(-c2ccccc2)c(I)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRM4 Q14833 2/20 0.37
TNKS O95271 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
LMNA P02545 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL2287924 0.82 FEN1 (0.43) FEN1CCNB2CDK1CCNB1CDK5
SCHEMBL13787017 0.82 CYP11B2 (0.51) FEN1CCNB2CDK1CCNB1CDK5
SCHEMBL16770909 0.78 CYP1A2 (0.45) ALDH1A1CYP2C19TSHRGRM4NSD3
SCHEMBL3223827 0.77 ALDH1A1 (0.61) FEN1CCNB2CDK1CCNB1CDK5
SCHEMBL6477966 0.77 EGFR (0.51) FEN1EGFRSRCALDH1A1CYP2C19
SCHEMBL3215841 0.75 ALDH1A1 (0.40) FEN1CCNB2CDK1CCNB1CDK5
SCHEMBL30373546 0.73 ALDH1A1 (0.46) FEN1CCNB2CDK1CCNB1CDK5
SCHEMBL1609990 0.72 FEN1 (0.56) FEN1EGFRSRCALDH1A1CYP2C19
SCHEMBL6478007 0.72 ABCB1 (0.48) FEN1EGFRSRCALDH1A1CYP2C19
SCHEMBL6478016 0.72 ABCB1 (0.48) FEN1EGFRSRCALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed