SCHEMBL22709284

SCHEMBL22709284

C=C1CCCc2c1nc(Cl)nc2N1CCN[C@@H](CC#N)C1

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
SCHEMBL22709886 0.88 HTR2C (0.30) HTR2C
SCHEMBL28501696 0.77 — —
SCHEMBL28501694 0.77 — —
SCHEMBL23841610 0.76 — —
SCHEMBL23074958 0.73 KDM4E (0.40) —
SCHEMBL29116617 0.72 KRAS (0.31) —
SCHEMBL28500433 0.72 KRAS (0.31) —
SCHEMBL19637232 0.72 NUDT1 (0.33) —
SCHEMBL23074821 0.71 C5AR1 (0.42) —
SCHEMBL23075033 0.71 C5AR1 (0.42) —

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
Send feedback