SCHEMBL5339002

SCHEMBL5339002

CN(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.43
TBK1 Q9UHD2 14/20 0.41
CCNT1 O60563 1/20 0.39
FLT3 P36888 1/20 0.39
CDK9 P50750 1/20 0.39
IKBKE Q14164 1/20 0.39
RPS6KA6 Q9UK32 1/20 0.39

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
SCHEMBL5335400 0.92 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL14531379 0.88 KDR (0.39) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5315530 0.86 KDR (0.39) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5379271 0.86 KDR (0.48) KDRTBK1
SCHEMBL14530632 0.85 KDR (0.46) KDRTBK1CDK9
SCHEMBL5310039 0.84 FAAH (0.39)
SCHEMBL5311462 0.82 TBK1 (0.53) TBK1
SCHEMBL5331505 0.82 KDR (0.55) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5312932 0.81 KDR (0.42) KDR
SCHEMBL5311520 0.81 KDR (0.53) KDRTBK1CCNT1FLT3CDK9

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