SCHEMBL14548748

SCHEMBL14548748

Cc1cc2cc(Cc3ccnc(Nc4cccc(S(=O)(=O)CCN(C)C)c4)n3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.53
FLT1 P17948 2/20 0.53
FGFR1 P11362 1/20 0.53
FLT4 P35916 1/20 0.53
FLT3 P36888 1/20 0.53
MERTK Q12866 1/20 0.53
NTRK2 Q16620 1/20 0.53
TNNI3K Q59H18 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SYK P43405 2/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
EPHB4 P54760 1/20 0.37
LYN P07948 1/20 0.37
TXK P42681 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL4881676 0.85 KDR (0.53) KDRFLT1FGFR1FLT4FLT3
SCHEMBL14024540 0.83 KDR (0.73) KDRFLT1FGFR1FLT4FLT3
SCHEMBL14024352 0.72 TNNI3K (0.53) KDRFLT1FGFR1FLT4FLT3
SCHEMBL14024423 0.71 JAK3 (0.49) KDRFLT1FGFR1FLT4FLT3
SCHEMBL14024420 0.71 JAK3 (0.53) FLT1TNNI3KSYKCDK2CDK4
SCHEMBL4881985 0.70 EPHB4 (0.59) KDRFLT1FGFR1FLT3NTRK2
SCHEMBL14024541 0.69 KDR (0.57) KDRFLT1FGFR1FLT4FLT3
Surufatinib SCHEMBL1822601 0.69 KDR (1.00) KDRFLT1FGFR1FLT4FLT3
Surufatinib SCHEMBL29363337 0.69 KDR (1.00) KDRFLT1FGFR1FLT4FLT3
Surufatinib SCHEMBL29366533 0.69 KDR (1.00) KDRFLT1FGFR1FLT4FLT3

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed