SCHEMBL25844821

SCHEMBL25844821

COCCN(C)C/C=C/C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
FGFR2 P21802 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL21569008 1.00 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2CHRNB2
SCHEMBL2842621 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL14165483 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL14165482 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL2842616 0.84 PIK3CD (0.38) PIK3CDEGFRERBB2FGFR2
SCHEMBL23936998 0.83
Hydrochloric Acid SCHEMBL15709158 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2
SCHEMBL14617834 0.82 HCAR2 (0.41) PIK3CDEGFRERBB2FGFR2
Hydrochloric Acid SCHEMBL15709160 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2
SCHEMBL2227392 0.82 PIK3CD (0.37) PIK3CDEGFRERBB2FGFR2

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-2023133543-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-07-13 WO disclosed