SCHEMBL19670481

SCHEMBL19670481

Cc1ccnc(NC(O)N2c3nc(-c4ccnc(C)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 5/20 0.41
▸ MAP3K12 Q12852 5/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FDPS P14324 1/20 0.32
▸ PRKD1 Q15139 2/20 0.32
▸ TGFBR1 P36897 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
SCHEMBL19670625 0.88 HRH3 (0.33) KARS1HRH3MAPK1TGFBR1
SCHEMBL19670633 0.87 WNT3A (0.34) HRH3MAPK1PRKD1
SCHEMBL19706212 0.86 HRH3 (0.34) KARS1HRH3MAPTMAPK1PRKD1
SCHEMBL19706138 0.85 WNT3A (0.33) HRH3MAPK1TGFBR1
SCHEMBL19670538 0.85 ROCK1 (0.34) HRH3MAPK1
SCHEMBL19706928 0.85 HRH3 (0.33) HRH3MAPK1
SCHEMBL19670504 0.83 MAPK1 (0.32) HRH3MAPK1
SCHEMBL19706215 0.82 MAP4K4 (0.34) —
SCHEMBL17778323 0.81 KARS1 (0.40) KARS1MAP3K12SYKKDM4EALDH1A1
SCHEMBL16754282 0.81 KARS1 (0.40) KARS1MAP3K12SYKKDM4EALDH1A1

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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