SCHEMBL5331505

SCHEMBL5331505

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.55
TBK1 Q9UHD2 11/20 0.44
CCNT1 O60563 2/20 0.41
FLT3 P36888 2/20 0.41
CDK9 P50750 2/20 0.41
IKBKE Q14164 2/20 0.41
RPS6KA6 Q9UK32 2/20 0.41
LCK P06239 2/20 0.41
STK17A Q9UEE5 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL5311520 0.92 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5334772 0.92 KDR (0.55) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5339092 0.92 KDR (0.56) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5313597 0.91 TBK1 (0.52) TBK1
SCHEMBL5314818 0.90 KDR (0.45) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5335400 0.90 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5311462 0.90 TBK1 (0.53) TBK1
SCHEMBL5310884 0.88 KDR (0.41) KDRTBK1CCNT1FLT3CDK9
SCHEMBL14530657 0.88 ACKR3 (0.42) KDRTBK1LCK
SCHEMBL14530838 0.87 KDR (0.48) KDRTBK1IKBKELCK

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