SCHEMBL19670356

SCHEMBL19670356

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 6/20 0.34
▸ CACNA1H O95180 4/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DLK1 P80370 2/20 0.34
▸ DRG1 Q9Y295 1/20 0.34
▸ CSF1R P07333 5/20 0.33
▸ PDGFRB P09619 3/20 0.33
▸ KIT P10721 3/20 0.33
▸ PDGFRA P16234 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ FLT3 P36888 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
SCHEMBL19670226 0.91 CNR2 (0.38) MAP3K12WNT1GSK3BDYRK1ADLK1
SCHEMBL19670360 0.90 KARS1 (0.40) MAP3K12WNT1GSK3BDYRK1ADLK1
SCHEMBL19670206 0.89 DYRK1A (0.34) MAP3K12WNT1GSK3BDYRK1ADLK1
SCHEMBL19365431 0.89 IDH1 (0.34) MAP3K12CACNA1HWNT1GSK3BDYRK1A
SCHEMBL19365587 0.86 FGFR4 (0.39) CACNA1HWNT1GSK3BDYRK1ACSF1R
SCHEMBL19670334 0.86 FGFR4 (0.36) MAP3K12CACNA1HWNT1GSK3BDYRK1A
SCHEMBL19670490 0.86 SLC34A1 (0.36) MAP3K12WNT1GSK3BDYRK1ACSF1R
SCHEMBL19365654 0.86 HCRTR1 (0.44) CSF1RMETKDRHCRTR1
SCHEMBL17618649 0.85 SCD (0.37) MAP3K12CACNA1HDLK1DRG1SCD
SCHEMBL19365756 0.81 VCP (0.38) MAP3K12GSK3BDYRK1ADLK1CNR2

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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