SCHEMBL30170858

SCHEMBL30170858

COc1cc2nc(COCc3ccccc3)nc(O)c2cc1C1(OC)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.39
▸ ELANE P08246 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL30170830 0.89 ALOX5 (0.39) ALOX5ELANEPDGFRBPDGFRAEPHA2
SCHEMBL30170868 0.84 ALOX5 (0.38) ALOX5ELANEPDGFRBPDGFRAEPHA2
SCHEMBL30170771 0.77 ELANE (0.41) ALOX5ELANEPDGFRBPDGFRAEPHA2
SCHEMBL30170824 0.75 SOS1 (0.35) ALOX5ELANEPDGFRBPDGFRAEPHA2
SCHEMBL24792178 0.74 SMN1; SMN2 (0.36) ALOX5EGFRSMN1; SMN2
SCHEMBL24791345 0.73 MEN1 (0.33) ALOX5KDM4ESMN1; SMN2
SCHEMBL24792638 0.69 SMN1; SMN2 (0.39) ALOX5EGFRSMN1; SMN2
SCHEMBL15819502 0.68 NTSR1 (0.59) ALOX5ELANENTSR1KDM4EALDH1A1
SCHEMBL19385357 0.65 ELANE (0.55) ELANEPDGFRBPDGFRAEGFRKDM4E
SCHEMBL24792643 0.65 SMN1; SMN2 (0.35) ALOX5EGFRALDH1A1LMNATP53

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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