SCHEMBL30148789

SCHEMBL30148789

Cc1cc(C)c(CNc2nc(-c3ccccc3F)nc3[nH]cnc23)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ EZH2 Q15910 13/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.35
▸ EED O75530 3/20 0.35
▸ RBBP4 Q09028 3/20 0.35
▸ SUZ12 Q15022 3/20 0.35
▸ AEBP2 Q6ZN18 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL30148788 0.79 EZH2 (0.39) EZH2EHMT2EEDRBBP4SUZ12
SCHEMBL30148807 0.74 NPC1 (0.45) EZH2SMN1; SMN2RXFP1ADORA1
SCHEMBL6228309 0.69 MEN1 (0.38) MAPTPOLBMAPK1KMT2AALDH1A1
SCHEMBL17450144 0.68 AURKA (0.41) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL16146855 0.68 ALDH1A1 (0.44) POLBMAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13906499 0.65 TMIGD3 (0.42) MAPTPOLBSMN1; SMN2ADORA1
SCHEMBL16146146 0.64 KDM4E (0.44) MAPTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL16146273 0.64 MAP4K4 (0.44) MAPTPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL20119609 0.64 ADORA3 (0.49) MAPTPOLBKMT2AALDH1A1LMNA
SCHEMBL16145744 0.63 MAP4K4 (0.41) MAPK1KMT2AALDH1A1LMNASMN1; SMN2

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
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