SCHEMBL5313703

SCHEMBL5313703

CN1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(Cl)cc5F)nc4s3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.39
KDR P35968 11/20 0.38
MELK Q14680 2/20 0.35
AXL P30530 3/20 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
TBK1 Q9UHD2 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34

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
SCHEMBL14531379 0.92 KDR (0.39) LCKKDRAXLCCNT1FLT3
SCHEMBL5331156 0.92 LCK (0.47) LCKKDR
SCHEMBL5314665 0.91 LCK (0.40) LCKKDRCCNT1FLT3CDK9
SCHEMBL14530632 0.84 KDR (0.46) LCKKDRCDK9TBK1
SCHEMBL5315530 0.83 KDR (0.39) LCKKDRCCNT1FLT3CDK9
SCHEMBL5335400 0.83 KDR (0.53) LCKKDRCCNT1FLT3CDK9
SCHEMBL14530647 0.82 KDR (0.41) LCKKDRTBK1
SCHEMBL14531377 0.81 DYRK2 (0.40) AXL
SCHEMBL5339002 0.80 KDR (0.43) KDRCCNT1FLT3CDK9IKBKE
SCHEMBL14531020 0.79 LCK (0.49) LCKKDR

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 claimed