SCHEMBL16454985

SCHEMBL16454985

Cc1c(-c2ccccc2Cl)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 12/20 0.69
FGFR4 P22455 3/20 0.62
SRC P12931 2/20 0.62
FGFR1 P11362 1/20 0.62
FGFR2 P21802 1/20 0.62
FGFR3 P22607 1/20 0.62
CYP3A4 P08684 1/20 0.58
KCNH2 Q12809 1/20 0.57
CSF1R P07333 1/20 0.57
CCND3 P30281 2/20 0.56
CCNK O75909 1/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56
CDK6 Q00534 1/20 0.56
ALK Q9UM73 1/20 0.56
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CCND2 P30279 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL16446208 0.90 WEE1 (0.68) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL31557302 0.85 WEE1 (0.83) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL14875643 0.85 WEE1 (0.83) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL14875699 0.84 WEE1 (0.86) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL31557074 0.84 WEE1 (0.86) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL30878430 0.84 SRC (0.65) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL30878475 0.83 SRC (0.63) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL20673956 0.82 WEE1 (0.59) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL14875677 0.82 WEE1 (1.00) WEE1FGFR4SRCFGFR1FGFR2
SCHEMBL31557079 0.82 WEE1 (1.00) WEE1FGFR4SRCFGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015019037-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2015-02-12 WO disclosed