SCHEMBL19365752

SCHEMBL19365752

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H](C)CCN3C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 8/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL19365369 0.90 GSK3B (0.38) ABL1GSK3BDYRK1AHTR2AHTR2C
SCHEMBL19365620 0.89 HTR2C (0.43) WNT3AMAPK1ABL1HTR2AHTR2C
SCHEMBL19670540 0.86 DYRK1A (0.36) WNT3AGRM5GSK3BDYRK1AHTR2A
SCHEMBL19365654 0.86 HCRTR1 (0.44) WNT3AGRM5GRM2MAPK1HCRTR1
SCHEMBL19670206 0.85 DYRK1A (0.34) GSK3BDYRK1A
SCHEMBL19670010 0.85 CLK2 (0.34) ABL1DYRK1A
SCHEMBL19365270 0.84 WNT3A (0.40) WNT3AGRM5MAPK1ABL1GSK3B
SCHEMBL19365595 0.84 MAPT (0.38) MAPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL17618520 0.84 USP30 (0.37) WNT3AUSP30GRM5PSEN1PSEN2
SCHEMBL19364877 0.83 TRPV3 (0.38) ABL1GSK3BDYRK1A

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 2 patents. 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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