SCHEMBL5988083

SCHEMBL5988083

CCc1cc(CC)c(C=C2C(=O)Nc3nc(C)ncc32)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.36
PDGFRB P09619 5/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
ALK Q9UM73 4/20 0.34
PDPK1 O15530 2/20 0.34
FLT1 P17948 3/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
RET P07949 4/20 0.32
FGFR1 P11362 3/20 0.32
FLT3 P36888 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
CSF1R P07333 2/20 0.32
SRC P12931 2/20 0.32
FGFR3 P22607 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL5988662 0.84 MAPT (0.35) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL5988057 0.81 KDR (0.43) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL5989409 0.80 PDGFRB (0.47) KDRPDGFRBALKPDPK1FLT1
SCHEMBL5989881 0.79 ALK (0.37) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL5989630 0.78 RET (0.54) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL6388209 0.78 MAPT (0.51) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL6388211 0.78 MAPT (0.51) KDRPDGFRBMAPTNPC1KMT2A
SCHEMBL5990852 0.76 PDE3B (0.42) KDRPDGFRBALKPDPK1RET
SCHEMBL5989160 0.76 EGFR (0.50) KDRPDGFRBALKPDPK1FLT1
SCHEMBL5991171 0.76 GSK3B (0.38) KDRPDGFRBMAPTNPC1KMT2A

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
US-6987113-B2 Tyrosine kinase inhibitors SUGEN, INC. (US) 2006-01-17 US claimed
US-6987113-B2 Tyrosine kinase inhibitors SUGEN, INC. (US) 2006-01-17 US disclosed