SCHEMBL19670368

SCHEMBL19670368

COc1cc(NC(=O)N2c3nc(-c4ccccc4C(F)(F)F)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.39
▸ MPL P40238 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CYP1A2 P05177 5/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 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
SCHEMBL19670374 0.85 TRPV1 (0.48) TRPV1PIK3C3
SCHEMBL17618448 0.85 FAAH (0.40) FGFR4MPLFAAHCYP1A2TSHR
SCHEMBL19670149 0.84 FGFR4 (0.39) FGFR4FAAHKIT
SCHEMBL19670373 0.83 KDR (0.41) FGFR4FAAHKDM4EHSD17B10MAPK1
SCHEMBL19365299 0.81 FGFR4 (0.40) FGFR4FAAHKDM4EMAPK1ALDH1A1
SCHEMBL19670267 0.81 FGFR4 (0.41) FGFR4FAAHKDM4EALDH1A1HTT
SCHEMBL19670266 0.81 FGFR4 (0.41) FGFR4FAAHTSHRTP53MAPK1
SCHEMBL19670233 0.80 FAAH (0.39) FGFR4FAAHCYP1A2TSHRCYP2C19
SCHEMBL19670584 0.80 FAAH (0.41) FGFR4FAAHTSHRCYP2C19CYP3A4
SCHEMBL19365442 0.80 FAAH (0.37) FGFR4FAAHKDM4EHSD17B10MAPK1

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
Send feedback