SCHEMBL19365462

SCHEMBL19365462

CN1CCCN(C(=O)Nc2ccc(F)cn2)c2nc(-c3cccc(CC(O)CO)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 8/20 0.42
▸ PRKCA P17252 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TRPV1 Q8NER1 4/20 0.36
▸ CSF1R P07333 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ WNT3A P56704 2/20 0.32
▸ AHR P35869 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL19365473 0.89 FGFR4 (0.39) FGFR4PRKCAGSK3BMET
SCHEMBL19669050 0.86 TRPV1 (0.35) FGFR4PRKCAGSK3BTRPV1WNT3A
SCHEMBL16776100 0.85 FGFR4 (0.42) FGFR4PRKCAGSK3BTRPV1CSF1R
SCHEMBL19365298 0.84 FGFR4 (0.43) FGFR4KDRWNT3ACNR1
SCHEMBL19365693 0.84 TRPV1 (0.34) TRPV1WNT1
SCHEMBL17618590 0.79 TRPV1 (0.36) FGFR4PRKCAGSK3BTRPV1WNT3A
SCHEMBL19670160 0.77 PRMT5 (0.42) FGFR4
SCHEMBL20632110 0.77 NPY5R (0.36) FGFR4METWNT3AAHRNPY5R
SCHEMBL19670234 0.76 FGFR4 (0.35) FGFR4CSF1RMETKDR
SCHEMBL12654432 0.76 FGFR4 (0.43) FGFR4

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
Send feedback