SCHEMBL26040460

SCHEMBL26040460

COC(=O)c1cc(C)nc(Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
NQO2 P16083 6/20 0.47
ABL1 P00519 1/20 0.46
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 1/20 0.42
KMT2A Q03164 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
SCHEMBL110643 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDNQO2ABL1
SCHEMBL29678780 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDNQO2ABL1
SCHEMBL22902580 0.84 IKBKB (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL21349339 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDNQO2ABL1
SCHEMBL31310191 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDNQO2POLB
SCHEMBL26040458 0.82 NQO2 (0.46) KDM4EALDH1A1HPGDNQO2ABL1
SCHEMBL26040461 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL21216359 0.81 POLB (0.58) ALDH1A1NQO2POLBMAPK1SMN1; SMN2
SCHEMBL25360994 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDNQO2POLB
SCHEMBL26040462 0.80 POLB (0.45) KDM4EALDH1A1HPGDPOLBGAA

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