SCHEMBL30148788

SCHEMBL30148788

Cc1cc(C)c(CNc2nc(Cl)nc3[nH]cnc23)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 0.39
▸ EHMT2 Q96KQ7 2/20 0.39
▸ EED O75530 3/20 0.35
▸ RBBP4 Q09028 3/20 0.35
▸ SUZ12 Q15022 3/20 0.35
▸ AEBP2 Q6ZN18 3/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL30148789 0.79 MAPT (0.37) EZH2EHMT2EEDRBBP4SUZ12
SCHEMBL28523974 0.77 CDK1 (0.57) —
SCHEMBL23683275 0.75 CDK1 (0.41) TMIGD3HTR2CHTR2B
SCHEMBL30148806 0.75 CDK1 (0.45) EZH2
SCHEMBL30148823 0.74 CTSL (0.45) EZH2
SCHEMBL28744768 0.73 EZH2 (0.63) EZH2EHMT2EEDRBBP4SUZ12
SCHEMBL31670501 0.73 EZH2 (0.38) EZH2EHMT2EEDRBBP4SUZ12
SCHEMBL20119692 0.72 SMN1; SMN2 (0.34) TMIGD3HTR2CHTR2B
SCHEMBL7110908 0.72 XDH (0.41) TMIGD3HTR2CHTR2B
SCHEMBL30785590 0.71 EZH2 (0.37) EZH2EHMT2EEDRBBP4SUZ12

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
CN-110903289-B Purine-aminomethyl-pyridone derivative, preparation method and application thereof 四川大学 2023-02-03 — — CN disclosed
Send feedback