SCHEMBL5212152

SCHEMBL5212152

CC(C)n1nc(CN(C)C(=O)O)c(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
TACR1 P25103 1/20 0.31
NPC1 O15118 1/20 0.31
PYGL P06737 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL5211288 0.84 FLT1 (0.35) FLT1KDR
SCHEMBL5208094 0.84 POLB (0.36) FLT1KDR
SCHEMBL5208158 0.82 FLT1 (0.35) FLT1KDR
Hydrochloric Acid SCHEMBL5207976 0.82 FLT1 (0.35) FLT1KDR
SCHEMBL5211498 0.82 FLT1 (0.32) SLC16A3FLT1KDR
SCHEMBL5210884 0.81 ATM (0.34) FLT1KDR
SCHEMBL14564994 0.79 FLT1 (0.33) FLT1KDR
SCHEMBL5244657 0.79 FLT1 (0.37) FLT1KDR
SCHEMBL5209929 0.79 FLT1 (0.32) FLT1KDR
SCHEMBL5207787 0.78 FLT1 (0.33) FLT1KDR

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
EP-1401826-B1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed