SCHEMBL25865806

SCHEMBL25865806

CC1C=C(c2c[nH]c3ncccc23)C(C)(C)NC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
DYRK1A Q13627 3/20 0.45
TGFBR1 P36897 4/20 0.43
PDPK1 O15530 3/20 0.43
IKBKE Q14164 3/20 0.43
BRD4 O60885 1/20 0.41
CDC7 O00311 3/20 0.41
CDK2 P24941 2/20 0.41
MAP4K4 O95819 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
GSK3B P49841 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
ROCK2 O75116 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL25865809 0.80 HTR2A (0.46) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865819 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865811 0.76 CAMKK2 (0.45) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865814 0.76 HTR2A (0.62) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865822 0.74 HTR2A (0.51) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL5618155 0.72 TGFBR1 (0.71) DYRK1ATGFBR1PDPK1IKBKEBRD4
SCHEMBL25866085 0.70 TGFBR1 (0.44) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865826 0.70 TGFBR1 (0.44) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865813 0.69 TGFBR1 (0.45) HTR2AHTR2CHTR2BDYRK1ATGFBR1
SCHEMBL25865829 0.68 TGFBR1 (0.44) HTR2AHTR2CHTR2BDYRK1ATGFBR1

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed