SCHEMBL30657462

SCHEMBL30657462

COc1nc(N2CCN(C)CC2)cc2c(O)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
HTR3A P46098 3/20 0.40
UCHL3 P15374 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL26639919 1.00 HRH4 (0.41) HRH4ACHEBACE1HTR3AUCHL3
SCHEMBL26639939 0.78 QDPR (0.38) HRH4ACHEBACE1
SCHEMBL26639845 0.72 QDPR (0.41)
SCHEMBL30657464 0.72 QDPR (0.41)
SCHEMBL30657478 0.72 MEN1 (0.34) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL26639820 0.72 MEN1 (0.34) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30657485 0.72 MEN1 (0.34) MEN1KMT2A
SCHEMBL26639760 0.72 MEN1 (0.34) MEN1KMT2A
Formic Acid SCHEMBL30657455 0.69 QDPR (0.38)
SCHEMBL30657463 0.67 QDPR (0.42) ACHEBACE1

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