SCHEMBL21733758

SCHEMBL21733758

Cc1cc2[nH]cnc2c(C2CCc3c(nc[nH]c3=O)C2)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PARP1 P09874 2/20 0.34
PNP P00491 1/20 0.32
PDPK1 O15530 1/20 0.32
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21734010 0.77 KRAS (0.37) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL21722186 0.75 HPRT1 (0.33)
SCHEMBL21722277 0.73 KRAS (0.51)
SCHEMBL21733743 0.73 KRAS (0.51)
SCHEMBL21733396 0.73 KRAS (0.51)
SCHEMBL31483708 0.73 GRM7 (0.46) KMT2AMEN1PARP1HPGD
SCHEMBL20836477 0.73 GRM7 (0.46) KMT2AMEN1PARP1HPGD
SCHEMBL21722189 0.72 GRM7 (0.32)
SCHEMBL30834503 0.72 GRM7 (0.32)
SCHEMBL21733506 0.71 MEN1 (0.39) KMT2AMEN1HPGDLMNAHSD17B10

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed