SCHEMBL13688024

SCHEMBL13688024

CCN1CCCC1CNc1nc2cc(N)ccc2c2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
PIM1 P11309 2/20 0.36
USP2 O75604 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL13688063 0.92 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134875 0.86 SLC6A4 (0.40) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13688079 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134879 0.82 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134962 0.79 CSNK2A1 (0.41) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10132574 0.78 CSNK2A1 (0.61) CSNK2A1
SCHEMBL10132329 0.75 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10132276 0.75 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10132325 0.75 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134878 0.72 SLC6A4 (0.41) LMNAIRAK4PDE4APDE4BPDE4C

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-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed