SCHEMBL19670590

SCHEMBL19670590

CCN1CC[C@@H](C)N(C(=O)Nc2cnn(C)c2)c2nc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MET P08581 1/20 0.39
▸ FYN P06241 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ SLC5A1 P13866 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ BRD4 O60885 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
SCHEMBL19670589 0.88 HTR2C (0.42) FYNABL1
SCHEMBL19670386 0.88 CACNA1H (0.37) IRAK4FYNTRPA1KDRBRD4
SCHEMBL19670428 0.85 ABL1 (0.40) IRAK4FYNABL1KCNH2SLC5A1
SCHEMBL19670593 0.84 JAK1 (0.38) METUSP30BRD4
SCHEMBL19670238 0.83 TRPA1 (0.38) IRAK4FYNTRPA1ABL1KDR
SCHEMBL19670164 0.83 GSK3B (0.40) IRAK4KDRSLC5A1PIM1
SCHEMBL19670385 0.83 MPL (0.44) IRAK4FYNTRPA1SLC5A1USP30
SCHEMBL17618472 0.83 IRAK4 (0.42) IRAK4METFYNABL1KCNH2
SCHEMBL19670257 0.82 HPGDS (0.38) IRAK4SLC5A1PIM1
SCHEMBL19670512 0.82 BTK (0.37) CSF1R

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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