SCHEMBL29890571

SCHEMBL29890571

CC(C)Nc1cc(-c2cc(C(N)=O)n([C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 13/20 0.62
▸ MAPK3 P27361 1/20 0.54
▸ TAOK1 Q7L7X3 1/20 0.54
▸ PRKD2 Q9BZL6 1/20 0.54
▸ CNR2 P34972 2/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ CCNT1 O60563 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DCAF1 Q9Y4B6 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34

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
SCHEMBL30599066 0.80 MAPK1 (0.63) MAPK1MAPK3TAOK1PRKD2CNR2
SCHEMBL23222036 0.80 MAPK1 (0.63) MAPK1MAPK3TAOK1PRKD2CNR2
SCHEMBL31167636 0.78 MAPK1 (0.61) MAPK1MAPK3TAOK1PRKD2CNR2
SCHEMBL31167639 0.78 MAPK1 (0.61) MAPK1MAPK3TAOK1PRKD2CNR2
SCHEMBL23203339 0.74 CDK9 (0.53) CCNT1
SCHEMBL21588045 0.74 MAPK1 (0.65) MAPK1MAPK3TAOK1PRKD2DCAF1
SCHEMBL23203318 0.74 MAPK1 (0.65) MAPK1MAPK3TAOK1PRKD2DCAF1
SCHEMBL14338329 0.73 MAPK1 (0.76) MAPK1MAPK3TAOK1PRKD2RPS6KB1
SCHEMBL5385189 0.73 MAPK1 (0.76) MAPK1MAPK3TAOK1PRKD2RPS6KB1
SCHEMBL21587724 0.72 MAPK1 (0.62) MAPK1MAPK3TAOK1PRKD2CYP2D6

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
EP-4048270-A1 PHARMACEUTICAL COMBINATION OF PRMT5 INHIBITORS Lupin Limited (IN) 2022-08-31 — — EP disclosed
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