SCHEMBL19670505

SCHEMBL19670505

CCOc1cc(-c2ccc3c(n2)N(C(O)Nc2cnccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 12/20 0.34
▸ KIT P10721 1/20 0.34
▸ ACACB O00763 5/20 0.34
▸ KARS1 Q15046 1/20 0.33
▸ PRKD2 Q9BZL6 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
SCHEMBL19706309 0.92 HRH3 (0.39) PRKD1KITKARS1PRKD2
SCHEMBL19670635 0.85 PRKD1 (0.35) PRKD1KARS1PRKD2
SCHEMBL19706209 0.85 SMPD3 (0.34) PRKD1
SCHEMBL16754396 0.83 PRKD1 (0.36) PRKD1ACACBKARS1
SCHEMBL19706213 0.83 PRKD1 (0.33) PRKD1KARS1
SCHEMBL19670237 0.83 PRKD1 (0.33) PRKD1KARS1
SCHEMBL19706211 0.82 SMN1; SMN2 (0.36) PRKD1KARS1
SCHEMBL19706138 0.79 WNT3A (0.33) KIT
SCHEMBL19670367 0.79 CCNC (0.34) —
SCHEMBL19670673 0.78 JAK3 (0.33) —

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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