SCHEMBL17689744

SCHEMBL17689744

CSc1nc(Nc2cccnc2-c2ccccc2)c(C(=O)NN)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
XDH P47989 4/20 0.38
NTRK1 P04629 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 2/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10127174 0.90 PPARG (0.42) RXFP1PPARGNCOR2XDHNTRK1
SCHEMBL17340298 0.88 RXFP1 (0.39) RXFP1PPARGNCOR2XDHNTRK1
SCHEMBL10127183 0.74 RXFP1 (0.41) RXFP1XDHALDH1A1KDM4ELMNA
SCHEMBL10127216 0.71 GSK3A (0.39) RXFP1PPARGNCOR2XDH
SCHEMBL10127156 0.71 PPARG (0.43) RXFP1PPARGNTRK1ALDH1A1HPGD
SCHEMBL10126689 0.70 PDE4B (0.45) RXFP1PPARGNCOR2XDHALDH1A1
SCHEMBL10127150 0.68 XDH (0.46) RXFP1PPARGNCOR2XDHKDM4E
SCHEMBL10127167 0.68 NTRK1 (0.38) RXFP1PPARGNTRK1ALDH1A1TP53
SCHEMBL328281 0.67 XDH (0.38) RXFP1XDHALDH1A1KDM4ELMNA
SCHEMBL283685 0.66 ALK (0.40) NTRK1

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-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed