SCHEMBL25428221

SCHEMBL25428221

CC(C)(C)C1C(C#N)C=C(c2c[nH]c3ncccc23)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CAMKK2 Q96RR4 3/20 0.41
NEK2 P51955 2/20 0.39
LRRK2 Q5S007 1/20 0.39
PLK1 P53350 1/20 0.39
JAK3 P52333 2/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CDC7 O00311 4/20 0.38
HSD11B1 P28845 2/20 0.38
DYRK1A Q13627 3/20 0.38
CDK2 P24941 2/20 0.37
PIM1 P11309 2/20 0.37
CHEK1 O14757 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL25425327 0.85 HTR2A (0.43) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL25430167 0.77 CAMKK2 (0.42) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL16319629 0.73 CAMKK2 (0.50) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL25428211 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL30509671 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL21714635 0.72 HTR2A (0.51) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL30509692 0.71 HTR2A (0.49) HTR2AHTR2CHTR2BLRRK2JAK3
SCHEMBL25865978 0.71 HTR2A (0.49) HTR2AHTR2CHTR2BLRRK2JAK3
SCHEMBL21714415 0.70 DYRK1A (0.49) HTR2AHTR2CHTR2BCAMKK2NEK2
SCHEMBL25427220 0.69 HTR2A (0.42) HTR2AHTR2CHTR2BCAMKK2NEK2

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