SCHEMBL25564684

SCHEMBL25564684

COc1cc(CO)nc2onc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT1 P17948 8/20 0.35
KDR P35968 8/20 0.35
FLT3 P36888 8/20 0.35
LCK P06239 5/20 0.35
LYN P07948 5/20 0.35
FLT4 P35916 5/20 0.35
BLK P51451 5/20 0.35
FYN P06241 5/20 0.35
AURKA O14965 4/20 0.35
ROCK2 O75116 4/20 0.35
RPS6KA5 O75582 4/20 0.35
NTRK1 P04629 4/20 0.35
RET P07949 4/20 0.35
FGFR1 P11362 4/20 0.35

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
SCHEMBL27176104 0.78 IDO1 (0.65) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL26074232 0.77 IDO1 (0.46) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL25564685 0.76 PDE4B (0.45) PDE4B
SCHEMBL27176094 0.74 HPGD (0.49) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL27176098 0.70 CA12 (0.41) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL27176100 0.70 HSP90AA1 (0.51) IDO1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL27176117 0.70 SMN1; SMN2 (0.40) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL27176091 0.68 PDGFRB (0.39) IDO1ALDH1A1USP2HPGDHSD17B10
SCHEMBL28954958 0.68 IDO1 (0.63) IDO1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL17498427 0.67 CDK5 (0.40) IDO1ALDH1A1

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-2023088233-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-25 WO disclosed