SCHEMBL23635284

SCHEMBL23635284

COc1c[nH]c2c(C#N)c(C3(c4ccc(Cl)cc4)CC3)nn2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ AKT3 Q9Y243 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31

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
SCHEMBL23635327 0.89 HSD11B1 (0.37) HSD11B1ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL23635367 0.88 HSD11B1 (0.35) HSD11B1MAPTKDM4EALDH1A1HPGD
SCHEMBL23635283 0.86 HSD11B1 (0.37) HSD11B1ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL23635331 0.86 HSD11B1 (0.42) HSD11B1NR1I2
SCHEMBL23635369 0.85 NR1I2 (0.35) HSD11B1MAPK1L3MBTL1NR1I2
SCHEMBL23635370 0.85 HSD11B1 (0.33) HSD11B1ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL23635346 0.84 HSD11B1 (0.43) HSD11B1ALDH1A1MAPK1CYP2C9NR1I2
SCHEMBL23635332 0.84 L3MBTL1 (0.35) HSD11B1MAPTKDM4EALDH1A1HPGD
SCHEMBL23635365 0.84 NR1I2 (0.39) HSD11B1ALDH1A1MAPK1CYP2C9NR1I2
SCHEMBL23635398 0.82 MEN1 (0.36) HSD11B1KDM4EALDH1A1HPGDGAA

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
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
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