SCHEMBL25359700

SCHEMBL25359700

CNC(=O)c1cc(Cl)nc(I)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CASP1 P29466 1/20 0.35
SCN1A P35498 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
JAK2 O60674 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL25203400 0.83 ADCY10 (0.40) ADCY10SCN10ACASP1SCN1AKCNH2
SCHEMBL31330598 0.83 ADCY10 (0.40) ADCY10SCN10ACASP1SCN1AKCNH2
SCHEMBL17979068 0.81 KDM4E (0.50) CASP1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL31656690 0.81 CFTR (0.41) ADCY10SCN10ACASP1SCN1AKCNH2
SCHEMBL25360740 0.81 CFTR (0.41) ADCY10SCN10ACASP1SCN1AKCNH2
SCHEMBL30495159 0.80 KDM4E (0.39) CASP1KDM4EMAPTSMN1; SMN2USP2
SCHEMBL31392592 0.80 LMNA (0.38) CASP1MAPTALDH1A1S1PR2
SCHEMBL17979152 0.80 KDM4E (0.39) CASP1KDM4EMAPTSMN1; SMN2USP2
SCHEMBL31174353 0.79 ALOX5AP (0.38) ALDH1A1
SCHEMBL25235216 0.77 CASP1 (0.40) ADCY10CASP1KDM4EMAPTSMN1; SMN2

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-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed