SCHEMBL30657463

SCHEMBL30657463

COc1nc(C2CCN(C(C)=O)CC2)cc2c(O)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.42
MAP3K12 Q12852 6/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
RORC P51449 6/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PDE4B Q07343 1/20 0.36
CDK9 P50750 2/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CCNT1 O60563 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
SCHEMBL26639939 0.86 QDPR (0.38) QDPRACHEBACE1PIK3CDPIK3CA
SCHEMBL26639913 0.82 HTR1A (0.30)
SCHEMBL26639880 0.74 SOS1 (0.62)
SCHEMBL26639760 0.67 MEN1 (0.34)
SCHEMBL30657478 0.67 MEN1 (0.34)
SCHEMBL30657485 0.67 MEN1 (0.34)
SCHEMBL26639820 0.67 MEN1 (0.34)
SCHEMBL30657462 0.67 HRH4 (0.41) ACHEBACE1
SCHEMBL26639919 0.67 HRH4 (0.41) ACHEBACE1
SCHEMBL12184261 0.67 QDPR (0.44) QDPRMAP3K12

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-2023215256-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-09 WO disclosed