SCHEMBL20344483

SCHEMBL20344483

CN1C(=O)C(I)CCc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.50
RIPK1 Q13546 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
NOTUM Q6P988 2/20 0.43
SRD5A2 P31213 2/20 0.43
AADAT Q8N5Z0 1/20 0.40
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40

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
SCHEMBL15964553 0.82 AADAT (0.50) SRD5A1RIPK1DRD2DRD4NOTUM
SCHEMBL19224678 0.79 ROCK1 (0.39)
SCHEMBL18744969 0.78 DRD4 (0.47) SRD5A1RIPK1DRD2DRD4PYGL
SCHEMBL19224489 0.75 RIPK1 (0.42) RIPK1DRD2DRD4PYGL
SCHEMBL21220936 0.75 RIPK1 (0.42) SRD5A1RIPK1DRD2DRD4
SCHEMBL11255201 0.74 SRD5A1 (0.59) SRD5A1NOTUMSRD5A2
SCHEMBL31656024 0.73 SRD5A1 (0.40) SRD5A1RIPK1
SCHEMBL11863402 0.72 DRD4 (0.46) SRD5A1DRD2DRD4NOTUMAADAT
SCHEMBL21221071 0.72 RIPK1 (0.42) RIPK1
Hydrochloric Acid SCHEMBL11858272 0.71 DRD4 (0.45) SRD5A1DRD2DRD4NOTUMAADAT

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-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed