SCHEMBL31600992

SCHEMBL31600992

COC(=O)c1cc(C)c2nc(C)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL31497245 0.83 SMPD3 (0.40) KDM4EALDH1A1HPGDHSD17B10SMPD3
SCHEMBL26664258 0.83 RXFP1 (0.45) KDM4EALDH1A1HPGDHSD17B10SMPD3
SCHEMBL31082622 0.81 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10SMPD3
SCHEMBL26664189 0.78 RXFP1 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL25151527 0.77 TDP1 (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL16598636 0.77 GABRA2 (0.38) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL21818768 0.74 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL17857303 0.74 KDM4E (0.43) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4251317 0.72 KDM4E (0.44) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL25417903 0.71 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1HPGD

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed