SCHEMBL19781617

SCHEMBL19781617

Cc1cnc2ccc(Br)c(C)n12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL19781618 0.81 PDE5A (0.30) PDE5A
SCHEMBL31200166 0.73 SMN1; SMN2 (0.47) KDM4E
SCHEMBL19510490 0.72 KDM4E (0.34) KDM4EIDO1
Bromide SCHEMBL19510409 0.71 KDM4E (0.33) KDM4EIDO1
SCHEMBL13745072 0.68 MAPK14 (0.39)
SCHEMBL25149807 0.67 MYC (0.40) KDM4E
SCHEMBL8378700 0.64 CSNK1A1 (0.36) KDM4EIDO1
SCHEMBL5572841 0.64 CDK8 (0.41) KDM4EIDO1
SCHEMBL20713266 0.64 SMN1; SMN2 (0.39) KDM4E
SCHEMBL15230214 0.64 KDM4E (0.32) KDM4E

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-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed