SCHEMBL25867212

SCHEMBL25867212

CN1CC(c2c[nH]c3ncccc23)=CC2(CCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CDK2 P24941 5/20 0.44
CCNT1 O60563 4/20 0.44
CCNA2 P20248 4/20 0.44
CDK9 P50750 4/20 0.44
PDPK1 O15530 3/20 0.42
TGFBR1 P36897 3/20 0.42
IKBKE Q14164 2/20 0.42
TBK1 Q9UHD2 1/20 0.42
JAK3 P52333 3/20 0.41
RET P07949 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DYRK1A Q13627 2/20 0.39
BRD4 O60885 1/20 0.39
CDC7 O00311 3/20 0.38
DYRK1B Q9Y463 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
Hydrochloric Acid SCHEMBL25427976 0.99 HTR2A (0.44) HTR2AHTR2CHTR2BCDK2CCNT1
Hydrochloric Acid SCHEMBL30509708 0.99 HTR2A (0.44) HTR2AHTR2CHTR2BCDK2CCNT1
SCHEMBL25865989 0.95 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CCNT1
Hydrochloric Acid SCHEMBL25429456 0.94 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CCNT1
Hydrochloric Acid SCHEMBL30509701 0.94 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CCNT1
SCHEMBL25865804 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BCDK2CCNT1
Hydrochloric Acid SCHEMBL31327403 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CCNT1
SCHEMBL25865889 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CCNT1
SCHEMBL25427137 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BCDK2CCNT1
SCHEMBL30509705 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BCDK2CCNT1

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