SCHEMBL30899646

SCHEMBL30899646

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Br

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.60
SKP1 P63208 2/20 0.60
SKP2 Q13309 2/20 0.60
MAP4K4 O95819 1/20 0.49
GPR119 Q8TDV5 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
RET P07949 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HPGD P15428 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL30365856 1.00 CKS1B (0.60) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL14523362 0.86 CKS1B (0.58) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL20163032 0.82 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL22118550 0.81 MAP4K4 (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL29435004 0.81 MAP4K4 (0.56) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL30376692 0.81 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL3294544 0.81 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL14614610 0.80 CKS1B (0.59) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL14523391 0.80 CKS1B (0.66) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL1432688 0.80 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4GPR119

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
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 CN disclosed