SCHEMBL24791345

SCHEMBL24791345

COC(=O)c1nc(O)c2cc(C3(OC)CCOCC3)c(OC)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3R1 P27986 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3R5 Q8WYR1 2/20 0.32
▸ ALOX5 P09917 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.31
▸ EHMT1 Q9H9B1 1/20 0.31
▸ NSD2 O96028 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL24792643 0.88 SMN1; SMN2 (0.35) MEN1KMT2APIK3CAALOX5SMN1; SMN2
SCHEMBL30170858 0.73 ALOX5 (0.39) ALOX5KDM4ESMN1; SMN2
SCHEMBL24792079 0.73 L3MBTL1 (0.36) MEN1KMT2AKDM4EMAPK1
SCHEMBL24792638 0.72 SMN1; SMN2 (0.39) PIK3CAALOX5SMN1; SMN2PDE10A
SCHEMBL24792644 0.71 SOS1 (0.52) —
SCHEMBL24792178 0.69 SMN1; SMN2 (0.36) PIK3CAALOX5SMN1; SMN2PDE10A
SCHEMBL24792471 0.67 TYK2 (0.35) ALOX5
SCHEMBL30170833 0.67 TYK2 (0.35) ALOX5
SCHEMBL30170830 0.64 ALOX5 (0.39) ALOX5
SCHEMBL24792869 0.61 PDE4A (0.36) KDM4ESMN1; SMN2

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-2022262691-A1 HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-12-22 — — WO disclosed
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