SCHEMBL5315629

SCHEMBL5315629

COC(C=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(F)cc5)nc4s3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.37
LCK P06239 2/20 0.36
TBK1 Q9UHD2 7/20 0.34
CCNT1 O60563 1/20 0.34
FLT3 P36888 1/20 0.34
CDK9 P50750 1/20 0.34
IKBKE Q14164 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34
SIK2 Q9H0K1 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33

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
SCHEMBL5314053 0.90 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310884 0.88 KDR (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL5313054 0.86 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5331505 0.84 KDR (0.55) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314818 0.84 KDR (0.45) KDRTBK1CCNT1FLT3CDK9
SCHEMBL14530838 0.84 KDR (0.48) KDRLCKTBK1IKBKESIK2
SCHEMBL5311520 0.83 KDR (0.53) KDRLCKTBK1CCNT1FLT3
SCHEMBL5311462 0.82 TBK1 (0.53) TBK1
SCHEMBL5313597 0.81 TBK1 (0.52) TBK1
SCHEMBL14530657 0.81 ACKR3 (0.42) KDRLCKTBK1

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed