SCHEMBL19670379

SCHEMBL19670379

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 7/20 0.37
▸ WDR77 Q9BQA1 4/20 0.37
▸ ROCK2 O75116 9/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PRKG1 Q13976 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LIMK2 P53671 1/20 0.33

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
SCHEMBL19670220 0.88 ROCK2 (0.34) ROCK2BRD4CREBBPPRKG1
SCHEMBL19670234 0.86 FGFR4 (0.35) PRMT5WDR77CARM1BRD4
SCHEMBL19670236 0.86 DHODH (0.40) ROCK2DYRK1A
SCHEMBL17618464 0.86 PRMT5 (0.38) PRMT5WDR77ROCK2DYRK1APRKG1
SCHEMBL19670156 0.85 PRMT5 (0.40) PRMT5WDR77CARM1DYRK1ACYP1A2
SCHEMBL19670588 0.82 FGFR4 (0.38) PRMT5WDR77CARM1
SCHEMBL19670155 0.82 HDAC2 (0.36) ROCK2BRD4
SCHEMBL19670423 0.82 TRPV3 (0.38) ROCK2BRD4CREBBPPRKG1
SCHEMBL19670377 0.79 CRACR2A (0.35) BRD4CREBBP
SCHEMBL19365513 0.77 PRMT5 (0.41) PRMT5WDR77CARM1

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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