SCHEMBL6015744

SCHEMBL6015744

S=C1Nc2ccccc2SC1=Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
NTRK1 P04629 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK7 P50613 1/20 0.46
RPS6KA3 P51812 1/20 0.46
LIMK1 P53667 1/20 0.46

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
SCHEMBL6015742 1.00 KDR (0.46) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL6015983 0.84 KDR (0.59) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL6015991 0.84 KDR (0.59) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL6015727 0.82 CHEK1 (0.51) KDRALDH1A1MAPTKMT2ATDP1
SCHEMBL6015730 0.82 CHEK1 (0.51) KDRALDH1A1MAPTKMT2ATDP1
SCHEMBL622204 0.74 PIM1 (0.64) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL29764580 0.74 PIM1 (0.64) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL622203 0.74 PIM1 (0.64) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL622202 0.74 PIM1 (0.64) KDRNTRK1DAPK3PRKD3MAP4K4
SCHEMBL1428998 0.73 MAPT (0.51) KDRNTRK1DAPK3PRKD3MAP4K4

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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed