SCHEMBL30657464

SCHEMBL30657464

COc1nc(C2=CCN(C)CC2)cc2c(O)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.41
SLC6A4 P31645 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
FGFR3 P22607 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL26639845 1.00 QDPR (0.41) QDPRSLC6A4PIK3CDPIK3R1PIK3CA
Formic Acid SCHEMBL30657455 0.95 QDPR (0.38) QDPRSLC6A4PIK3CDPIK3R1PIK3CA
SCHEMBL26639807 0.83 QDPR (0.34) QDPRSLC6A4PIK3CDPIK3R1PIK3CA
SCHEMBL26639939 0.73 QDPR (0.38) QDPRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30657462 0.72 HRH4 (0.41)
SCHEMBL26639919 0.72 HRH4 (0.41)
SCHEMBL30657485 0.68 MEN1 (0.34)
SCHEMBL26639760 0.68 MEN1 (0.34)
SCHEMBL30657478 0.68 MEN1 (0.34)
SCHEMBL26639820 0.68 MEN1 (0.34)

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