SCHEMBL7812244

SCHEMBL7812244

O=C1Nc2ccc(Cl)cc2/C1=C/c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.56
▸ PSEN1 P49768 3/20 0.54
▸ PSEN2 P49810 3/20 0.54
▸ APH1B Q8WW43 3/20 0.54
▸ NCSTN Q92542 3/20 0.54
▸ APH1A Q96BI3 3/20 0.54
▸ PSENEN Q9NZ42 3/20 0.54
▸ PDGFRB P09619 2/20 0.53
▸ RPS6KA3 P51812 1/20 0.52
▸ RET P07949 1/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ MDM2 Q00987 2/20 0.47

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
SCHEMBL7812245 1.00 LRRK2 (0.56) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL24152544 0.82 TLK2 (0.44) PDGFRBRET
SCHEMBL6000844 0.81 GSK3B (0.59) LRRK2PDGFRBRPS6KA3RETEGFR
SCHEMBL6000847 0.81 GSK3B (0.59) LRRK2PDGFRBRPS6KA3RETEGFR
SCHEMBL6297823 0.77 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6297819 0.77 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5999570 0.76 PDPK1 (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5999571 0.76 PDPK1 (0.65) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL24152889 0.76 CASP3 (0.59) EGFR
SCHEMBL6001670 0.75 TLK2 (0.68) LRRK2PDGFRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769947-B1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 2001-05-02 — — EP claimed
EP-0769947-B1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 2001-05-02 — — EP disclosed
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