SCHEMBL19670595

SCHEMBL19670595

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(C(C)C)n2)C2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ WNT3A P56704 4/20 0.34
▸ MAPK1 P28482 6/20 0.33
▸ PRKD1 Q15139 3/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ LPAR1 Q92633 2/20 0.32
▸ LPAR3 Q9UBY5 2/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL16754337 1.00 ABL1 (0.35) ABL1WNT3AMAPK1PRKD1PRKD2
SCHEMBL17618709 0.91 ABL1 (0.37) ABL1WNT3AMAPK1PRKD1JAK3
SCHEMBL16754575 0.89 MAPK1 (0.35) ABL1WNT3AMAPK1PRKD1JAK3
SCHEMBL16754333 0.89 ABL1 (0.35) ABL1WNT3AMAPK1PRKD1JAK3
SCHEMBL16754381 0.89 GSK3B (0.34) ABL1WNT3AMAPK1PRKD1PRKD2
SCHEMBL16238798 0.88 WNT3A (0.40) ABL1WNT3APRKD1PRKD2GRM5
SCHEMBL17778385 0.88 WNT3A (0.40) ABL1WNT3APRKD1PRKD2GRM5
SCHEMBL16754278 0.88 WNT3A (0.40) ABL1WNT3APRKD1PRKD2GRM5
SCHEMBL16754386 0.88 WNT3A (0.36) ABL1WNT3AMAPK1PRKD1JAK3
SCHEMBL17618707 0.88 WNT3A (0.36) ABL1WNT3AMAPK1JAK3

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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