SCHEMBL21734010

SCHEMBL21734010

Cc1cc2[nH]cnc2c(C2CCc3c(ncnc3N3CCNCC3)C2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
HTR2C P28335 5/20 0.35
DRD2 P14416 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2D6 P10635 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PTK2B Q14289 1/20 0.30
ATR Q13535 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
SCHEMBL30177760 0.84 KRAS (0.51) KRAS
SCHEMBL21722277 0.84 KRAS (0.51) KRAS
SCHEMBL21733396 0.84 KRAS (0.51) KRAS
SCHEMBL30178027 0.84 KRAS (0.51) KRAS
SCHEMBL21733743 0.84 KRAS (0.51) KRAS
SCHEMBL30177908 0.84 KRAS (0.51) KRAS
SCHEMBL21733758 0.77 KMT2A (0.39) ALDH1A1KMT2AMEN1NPSR1LMNA
SCHEMBL21733731 0.76 HTR2C (0.36) TLR7HTR2C
SCHEMBL21243935 0.76 KRAS (0.61) KRASHTR2CCYP1A2CYP3A4ALDH1A1
SCHEMBL21734011 0.73 KRAS (0.41) KRASTLR7HTR2CDRD2CYP1A2

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