SCHEMBL19670444

SCHEMBL19670444

COc1cc(NC(=O)N2c3nc(-c4ccnc(N5CCC(C(F)(F)F)C5)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 7/20 0.36
▸ ICAM1 P05362 7/20 0.36
▸ ITGAL P20701 7/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ SLC34A1 Q06495 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ KARS1 Q15046 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ MTOR P42345 2/20 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 0.93 FGFR4 (0.37) ITGB2ICAM1ITGALFGFR4FAAH
SCHEMBL19365725 0.93 FGFR4 (0.37) ITGB2ICAM1ITGALFGFR4FAAH
SCHEMBL19365442 0.89 FAAH (0.37) FGFR4SLC34A1FAAHMAP3K12SYK
SCHEMBL19361175 0.89 ITGB2 (0.38) ITGB2ICAM1ITGALFGFR4SLC34A1
SCHEMBL19670623 0.88 KARS1 (0.38) ITGB2ICAM1ITGALKARS1MAP3K12
SCHEMBL19670149 0.86 FGFR4 (0.39) FGFR4FAAHHPGDSPDK1PDK2
SCHEMBL19670334 0.86 FGFR4 (0.36) FGFR4FAAHHPGDSMAP3K12PDK1
SCHEMBL19670490 0.86 SLC34A1 (0.36) ITGB2ICAM1ITGALSLC34A1FAAH
SCHEMBL19365299 0.85 FGFR4 (0.40) FGFR4FAAHHPGDSSYKPDK1
SCHEMBL19670631 0.85 FAAH (0.35) ITGB2ICAM1ITGALFGFR4FAAH

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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