SCHEMBL25360994

SCHEMBL25360994

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
POLB P06746 2/20 0.45
HSD17B10 Q99714 3/20 0.44
ACHE P22303 3/20 0.42
BACE1 P56817 1/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO2 P16083 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL143872 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31264183 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31310191 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL25208528 0.82 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL536169 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL25361675 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31752906 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10BACE1
SCHEMBL26040460 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31447500 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL17201206 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDPOLBHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072265-A1 SOMATOSTATIN SUBTYPE RECEPTOR 3 (SSTR3) AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2025-04-03 WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed