SCHEMBL19670203

SCHEMBL19670203

O=C(Nc1cnccn1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCCC21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MAP3K12 Q12852 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
SCHEMBL17624473 1.00 POLB (0.39) POLBMAP4K4EIF2AK4KMT2ATRPV3
SCHEMBL19670613 0.90 DGAT2 (0.41) MAP4K4EIF2AK4TRPV3SCN10ADGAT2
SCHEMBL20632829 0.90 DGAT2 (0.41) MAP4K4EIF2AK4TRPV3SCN10ADGAT2
SCHEMBL17624598 0.90 DGAT2 (0.41) MAP4K4EIF2AK4TRPV3SCN10ADGAT2
SCHEMBL17624480 0.89 MAP4K4 (0.41) POLBMAP4K4EIF2AK4TRPV3SCN10A
SCHEMBL19670288 0.89 MAP4K4 (0.41) POLBMAP4K4EIF2AK4TRPV3SCN10A
SCHEMBL16754452 0.88 MAP4K4 (0.41) POLBMAP4K4EIF2AK4KMT2ATRPV3
SCHEMBL16754325 0.88 MAP4K4 (0.41) POLBMAP4K4EIF2AK4KMT2ATRPV3
SCHEMBL19670304 0.88 MAP4K4 (0.41) POLBMAP4K4EIF2AK4KMT2ATRPV3
SCHEMBL19365453 0.88 MAP4K4 (0.41) POLBMAP4K4EIF2AK4KMT2ATRPV3

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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