SCHEMBL14242530

SCHEMBL14242530

Cc1ccc(-c2cc(N(C)C(=O)OC(C)(C)C)n3nccc3n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATM Q13315 1/20 0.31
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 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
SCHEMBL14242607 0.87 USP30 (0.36) FLT3NR1H2
SCHEMBL14158143 0.84 KMT2A (0.38) KMT2AMEN1NPC1RXFP1ATM
SCHEMBL14242529 0.80 PDE10A (0.44) PAX8KMT2AMEN1
SCHEMBL14158109 0.79 ABCB1 (0.36) KMT2AMEN1NPC1RXFP1MAPK8
SCHEMBL14243307 0.77 PAX8 (0.32) PAX8IRAK4
SCHEMBL14158414 0.71 PDE10A (0.36) KMT2AMEN1NPC1RXFP1ATM
SCHEMBL1527844 0.71 GPR119 (0.36)
SCHEMBL14158351 0.69 PDE10A (0.54) KMT2AMEN1NPC1RXFP1ATM
SCHEMBL21248469 0.67 BRD4 (0.38) PAX8IRAK4KMT2AMEN1NPC1
SCHEMBL5446935 0.67 HTR1D (0.37) PAX8KMT2AMEN1MAPK8

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
WO-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed