SCHEMBL19190253

SCHEMBL19190253

COC(=O)c1cc(C#N)c2c(c1)nc(N)n2C1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NSD2 O96028 2/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ CHEK2 O96017 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ BTK Q06187 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.35
▸ USP30 Q70CQ3 2/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ LITAF Q99732 2/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ HDAC4 P56524 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
SCHEMBL16895750 0.92 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2ANSD2
SCHEMBL19720600 0.89 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ANSD2
SCHEMBL16901742 0.88 MEN1 (0.40) ALDH1A1MEN1MAPTKMT2ANSD2
SCHEMBL16896132 0.81 EGFR (0.57) —
SCHEMBL16895971 0.79 RPS6KB1 (0.49) ALDH1A1CHEK2PIK3CABTKL3MBTL1
SCHEMBL16895972 0.79 RPS6KB1 (0.49) ALDH1A1CHEK2PIK3CABTKL3MBTL1
SCHEMBL19037547 0.77 BTK (0.42) MEN1KMT2ACHEK2PIK3CABTK
SCHEMBL16896006 0.76 PIK3CA (0.38) ALDH1A1MEN1MAPTKMT2ACHEK2
SCHEMBL16896007 0.76 PIK3CA (0.38) ALDH1A1MEN1MAPTKMT2ACHEK2
SCHEMBL16903327 0.76 USP30 (0.42) ALDH1A1MEN1MAPTKMT2ANSD2

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
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
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