Sugi Predict

Sugi Predict / Compounds / SCHEMBL8002167

SCHEMBL8002167

SCHEMBL8002167

COc1ccc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1-c1ccccc1.COc1ccc(C=O)cc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 3/20 0.64
▸ EGFR P00533 1/20 0.64
▸ PSEN1 P49768 6/20 0.60
▸ PSEN2 P49810 6/20 0.60
▸ APH1B Q8WW43 6/20 0.60
▸ NCSTN Q92542 6/20 0.60
▸ APH1A Q96BI3 6/20 0.60
▸ PSENEN Q9NZ42 6/20 0.60
▸ LRRK2 Q5S007 7/20 0.60
▸ FLT3 P36888 2/20 0.58
▸ MDM2 Q00987 2/20 0.53

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
SCHEMBL8002163 1.00 ERBB2 (0.64) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL6404622 0.96 ERBB2 (0.69) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL6404623 0.96 ERBB2 (0.69) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL8001367 0.89 ERBB2 (0.64) ERBB2EGFRFLT3MDM2
SCHEMBL8001370 0.89 ERBB2 (0.64) ERBB2EGFRFLT3MDM2
SCHEMBL8002300 0.88 CCNE1 (0.54) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL8002301 0.88 CCNE1 (0.54) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL6395565 0.84 EGFR (0.62) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL6395558 0.84 EGFR (0.62) ERBB2EGFRPSEN1PSEN2APH1B
SCHEMBL6408143 0.84 ERBB2 (0.69) ERBB2FLT3MDM2

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-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 — — WO disclosed