SCHEMBL19670233

SCHEMBL19670233

COc1cc(NC(=O)N2c3nc(-c4cccc(C#N)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ USP30 Q70CQ3 3/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ TNIK Q9UKE5 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LRRK2 Q5S007 5/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ PDK2 Q15119 2/20 0.37
▸ PDK3 Q15120 2/20 0.37
▸ PDK4 Q16654 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CSNK1D P48730 1/20 0.36

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
SCHEMBL19365517 0.88 BRAF (0.40) FGFR4KCNH2TNIKLRRK2PDK1
SCHEMBL19670584 0.87 FAAH (0.41) FAAHFGFR4KCNH2CYP3A4TSHR
SCHEMBL19670231 0.85 USP30 (0.40) USP30KCNH2TNIKPDK1PDK2
SCHEMBL19670373 0.85 KDR (0.41) FAAHFGFR4MAPK1CSNK1DCSNK1E
SCHEMBL17618456 0.85 LRRK2 (0.41) FAAHFGFR4USP30KCNH2TNIK
SCHEMBL19670266 0.85 FGFR4 (0.41) FAAHFGFR4KCNH2TSHRMAPK1
SCHEMBL19365394 0.84 FAAH (0.39) FAAHFGFR4USP30KCNH2ALDH1A1
SCHEMBL19365299 0.84 FGFR4 (0.40) FAAHFGFR4KCNH2ALDH1A1MAPK1
SCHEMBL19365743 0.84 THRB (0.40) USP30KCNH2TNIKCYP1A2CYP3A4
SCHEMBL17618504 0.84 LRRK2 (0.42) FAAHFGFR4USP30ALDH1A1CYP1A2

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