SCHEMBL21733799

SCHEMBL21733799

CCC(=O)N1CCN(c2ncnc3c2CC[C@@H](c2c(F)c(N)cc(C)c2C(F)(F)F)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.39
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 3/20 0.35
HTR2B P41595 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
PDE4D Q08499 1/20 0.35
P2RY12 Q9H244 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
RBP4 P02753 2/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL30177770 0.89 KRAS (0.46) KRAS
SCHEMBL21733415 0.89 KRAS (0.46) KRAS
SCHEMBL21733413 0.89 KRAS (0.46) KRAS
SCHEMBL30178136 0.89 KRAS (0.46) KRAS
SCHEMBL30177923 0.89 KRAS (0.46) KRAS
SCHEMBL21733417 0.89 KRAS (0.46) KRAS
SCHEMBL30834508 0.84 RPS6KB1 (0.34) KRASRPS6KB1AKT1
SCHEMBL21734049 0.84 RPS6KB1 (0.34) KRASRPS6KB1AKT1
SCHEMBL21733766 0.81 KRAS (0.44) KRAS
SCHEMBL21733640 0.81 KRAS (0.44) KRAS

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