SCHEMBL23927779

SCHEMBL23927779

Cc1nc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
ACACB O00763 9/20 0.48
ACACA Q13085 9/20 0.48
PRMT5 O14744 1/20 0.47
SUV39H2 Q9H5I1 3/20 0.45
DRD2 P14416 2/20 0.42
IRAK1 P51617 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL18940284 1.00 CKS1B (0.52) CKS1BSKP1SKP2ACACBACACA
SCHEMBL18940311 0.86 PTGER4 (0.43) CKS1BSKP1SKP2ACACB
SCHEMBL25081256 0.78 CKS1B (0.55) CKS1BSKP1SKP2ACACBACACA
SCHEMBL25766607 0.78 CKS1B (0.62) CKS1BSKP1SKP2ACACBACACA
SCHEMBL18940291 0.76 SMO (0.42) IRAK1
SCHEMBL21522618 0.76 CHRM2 (0.53) CKS1BSKP1SKP2ACACBACACA
SCHEMBL27087870 0.76 CKS1B (0.50) CKS1BSKP1SKP2ACACBACACA
SCHEMBL10230218 0.76 CKS1B (0.59) CKS1BSKP1SKP2ACACBACACA
SCHEMBL25189130 0.76 MEN1 (0.43) CKS1BSKP1SKP2SUV39H2
SCHEMBL10230212 0.76 CKS1B (0.59) CKS1BSKP1SKP2ACACBACACA

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-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed