SCHEMBL26005690

SCHEMBL26005690

CNC(=O)Cn1cc(C=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PDK2 Q15119 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAP4K4 O95819 1/20 0.36
PLK1 P53350 1/20 0.36
JAK3 P52333 3/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP11B2 P19099 2/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL18183184 0.82 SYK (0.36) MAPTGAATDP1JAK1ALDH1A1
SCHEMBL5965015 0.81 HTT (0.37) PDK2MAPTGAATDP1ALDH1A1
SCHEMBL26005634 0.80 CCNC (0.44) CCNCCDK8PDK2GAAJAK3
SCHEMBL31255464 0.78 ALDH1A1 (0.44) GAAJAK3JAK1ALDH1A1SMN1; SMN2
SCHEMBL10084730 0.77 ALPI (0.51) CCNCCDK8PDK2MAPTGAA
SCHEMBL17094936 0.77 MEN1 (0.46) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL23011679 0.76 CCNC (0.43) CCNCCDK8PDK2MAPTMAP4K4
SCHEMBL17207643 0.76 TAS2R8 (0.44) CCNCCDK8PDK2MAPTMAP4K4
SCHEMBL17605717 0.76 ALDH1A1 (0.47) CCNCCDK8PDK2MAPTGAA
SCHEMBL17382262 0.76 CCNC (0.43) CCNCCDK8PDK2MAPTMAP4K4

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-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed