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Sugi Predict / Compounds / SCHEMBL3955908

SCHEMBL3955908

SCHEMBL3955908

Cc1[nH]c(=O)c(Nc2cccnn2)cc1-c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C.Cc1cc(Nc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)c(C)[nH]c2=O)no1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.45
▸ POLB P06746 2/20 0.41
▸ PPARG P37231 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PABPC1 P11940 1/20 0.37
▸ EIF4H Q15056 1/20 0.37

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
SCHEMBL3953320 0.80 BTK (0.48) BTKPOLBPPARGNR1H4MEN1
SCHEMBL3959742 0.80 RAB9A (0.52) BTKPOLBPPARGNR1H4MEN1
SCHEMBL3963719 0.77 BTK (0.51) BTK
SCHEMBL4183020 0.77 BTK (0.49) BTKPOLBPPARGNR1H4MEN1
SCHEMBL1041402 0.74 BTK (0.66) BTK
SCHEMBL3964890 0.74 BTK (0.61) BTK
SCHEMBL1041823 0.73 BTK (0.67) BTK
SCHEMBL17580874 0.73 BTK (0.72) BTK
SCHEMBL3658577 0.72 BTK (0.53) BTKPOLBPPARGNR1H4MEN1
SCHEMBL5242071 0.70 BTK (0.66) BTK

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-2079726-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-22 — — EP disclosed
WO-2008033857-A2 SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO disclosed