SCHEMBL22709886

SCHEMBL22709886

N#CC[C@H]1CN(c2nc(Cl)nc3c2CCCC3=O)CCN1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 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
SCHEMBL22709284 0.88 HTR2C (0.30) HTR2C
SCHEMBL22692013 0.77 KRAS (0.35) —
SCHEMBL22692014 0.77 KRAS (0.35) —
SCHEMBL28501694 0.77 — —
SCHEMBL28501696 0.77 — —
SCHEMBL23841610 0.76 — —
SCHEMBL23074914 0.75 P2RX7 (0.35) —
SCHEMBL29116617 0.74 KRAS (0.31) —
SCHEMBL28500433 0.74 KRAS (0.31) —
SCHEMBL23074958 0.73 KDM4E (0.40) —

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-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 — — WO disclosed
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