SCHEMBL19670234

SCHEMBL19670234

C[C@@H]1CCN(C)c2ccc(-c3cccc(OC[C@@H](O)CO)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.35
▸ CARM1 Q86X55 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ GAK O14976 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ EPHA5 P54756 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ PRMT5 O14744 7/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ WDR77 Q9BQA1 4/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 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
SCHEMBL19670156 0.89 PRMT5 (0.40) CARM1CYP3A4CYP2C9PRMT5WDR77
SCHEMBL19669050 0.89 TRPV1 (0.35) FGFR4BRD4
SCHEMBL19670362 0.86 IRAK4 (0.39) GAKPDGFRB
SCHEMBL19670379 0.86 PRMT5 (0.37) CARM1PRMT5WDR77BRD4
SCHEMBL19670588 0.85 FGFR4 (0.38) FGFR4CARM1PRMT5WDR77ADRB2
SCHEMBL17618452 0.85 MAPK14 (0.35) FGFR4CARM1MAPK14GAKLCK
SCHEMBL19670246 0.82 SCN9A (0.39) FGFR4MAPT
SCHEMBL19670420 0.82 HDAC2 (0.42) FGFR4BRD4
SCHEMBL19670365 0.82 VCP (0.37) FGFR4GRM5
SCHEMBL19365594 0.82 RAF1 (0.35) —

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