SCHEMBL2713052

SCHEMBL2713052

NC(=O)c1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ EGFR P00533 3/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ ACHE P22303 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2713091 0.92 EGFR (0.44) MAPTKDM4EEGFRKMT2AALDH1A1
SCHEMBL2713612 0.85 MAPK10 (0.55) —
SCHEMBL2715553 0.84 SYK (0.49) EGFRHTTTP53
SCHEMBL2712356 0.83 JAK3 (0.46) MAPTKDM4EEGFR
SCHEMBL2692165 0.83 JAK3 (0.64) MAPTKDM4EEGFRKMT2AALDH1A1
SCHEMBL2712879 0.82 KDM4E (0.48) MAPTKDM4EEGFRKMT2AALDH1A1
SCHEMBL2713076 0.81 JAK3 (0.43) EGFRPTK2HTT
SCHEMBL2712299 0.81 SYK (0.55) MAPT
SCHEMBL2714011 0.79 SYK (0.51) —
SCHEMBL2712825 0.79 JAK3 (0.59) EGFRPTK2

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-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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