SCHEMBL19670236

SCHEMBL19670236

C[C@@H]1CCN(C)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2N1C(=O)Nc1ccncc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ SLC5A1 P13866 3/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ TEK Q02763 1/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ FYN P06241 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL19670379 0.86 PRMT5 (0.37) DYRK1AROCK2
SCHEMBL16775950 0.86 SLC5A1 (0.40) DHODHIRAK4SLC5A1DYRK1AFYN
SCHEMBL19670423 0.85 TRPV3 (0.38) TEKTRPV3ROCK2
SCHEMBL19670155 0.85 HDAC2 (0.36) TEKROCK2
SCHEMBL19670362 0.84 IRAK4 (0.39) IRAK4SLC5A1SCN9AFYNTYRO3
SCHEMBL17618462 0.84 ABL1 (0.41) DHODHIRAK4HTR2CDYRK1A
SCHEMBL19670150 0.84 IRAK4 (0.40) IRAK4SLC5A1HTR2CSCN9AFYN
SCHEMBL19670377 0.84 CRACR2A (0.35) TRPV3
SCHEMBL19365522 0.83 KDM4E (0.39) IRAK4SLC5A1HTR2CDYRK1AFYN
SCHEMBL19670168 0.83 IRAK4 (0.43) IRAK4SLC5A1SCN9AFYNTYRO3

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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