SCHEMBL6410986

SCHEMBL6410986

COc1cccc(-c2cc(OC)c(OC)cc2C=C2C(=O)Nc3ccc(Cl)cc32)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.60
CDYL2 Q8N8U2 1/20 0.50
CDYL Q9Y232 1/20 0.50
CDY1; CDY1B Q9Y6F8 1/20 0.50
LRRK2 Q5S007 2/20 0.47
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45

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
SCHEMBL6391805 0.93 MDM2 (0.69) MDM2CDYL2CDYLCDY1; CDY1BLRRK2
SCHEMBL6391798 0.93 MDM2 (0.69) MDM2CDYL2CDYLCDY1; CDY1BLRRK2
SCHEMBL6407886 0.83 MDM2 (0.68) MDM2ERBB2FLT3
SCHEMBL6408722 0.82 MDM2 (0.50) MDM2ERBB2FLT3
SCHEMBL7243796 0.79 MDM2 (0.54) MDM2ERBB2FLT3
SCHEMBL6407911 0.77 NPC1 (0.62) MDM2ERBB2FLT3
SCHEMBL5472567 0.76 MDM2 (1.00) MDM2CDYL2CDYLCDY1; CDY1BLRRK2
SCHEMBL14448905 0.76 MDM2 (0.83) MDM2CDYL2CDYLCDY1; CDY1BLRRK2
SCHEMBL5472563 0.76 MDM2 (1.00) MDM2CDYL2CDYLCDY1; CDY1BLRRK2
SCHEMBL5477633 0.76 MDM2 (0.83) MDM2CDYL2CDYLCDY1; CDY1BLRRK2

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
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed