SCHEMBL19365725

SCHEMBL19365725

COc1cc(NC(=O)N2c3nc(-c4ccnc(N5CC[C@H](F)C5)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ KARS1 Q15046 2/20 0.36
▸ ITGB2 P05107 7/20 0.34
▸ ICAM1 P05362 7/20 0.34
▸ ITGAL P20701 7/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL19365721 1.00 FGFR4 (0.37) FGFR4FAAHKARS1ITGB2ICAM1
SCHEMBL19670444 0.93 ITGB2 (0.36) FGFR4FAAHKARS1ITGB2ICAM1
SCHEMBL19670631 0.91 FAAH (0.35) FGFR4FAAHKARS1ITGB2ICAM1
SCHEMBL19365394 0.89 FAAH (0.39) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL19670334 0.88 FGFR4 (0.36) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL17618656 0.88 FAAH (0.37) FGFR4FAAHKARS1ITGB2ICAM1
SCHEMBL17618648 0.88 FAAH (0.37) FGFR4FAAHKARS1ITGB2ICAM1
SCHEMBL19365299 0.88 FGFR4 (0.40) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL19670266 0.87 FGFR4 (0.41) FGFR4FAAHPDK1PDK2PDK3
SCHEMBL19670498 0.86 KARS1 (0.41) KARS1ITGB2ICAM1ITGALLRRK2

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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