SCHEMBL25865890

SCHEMBL25865890

CN1CC(c2c[nH]c3ncccc23)=CC(CC(F)(F)C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CDK2 P24941 6/20 0.40
CDK9 P50750 4/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
RET P07949 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
IKBKE Q14164 3/20 0.38
TBK1 Q9UHD2 2/20 0.38
PDPK1 O15530 2/20 0.38
TGFBR1 P36897 2/20 0.38
RPS6KA5 O75582 1/20 0.38
JAK2 O60674 2/20 0.37
CDC7 O00311 5/20 0.37
DYRK1A Q13627 3/20 0.37
DYRK1B Q9Y463 1/20 0.37
DBF4 Q9UBU7 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
SCHEMBL25865884 0.91 HTR2A (0.46) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL31327399 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL25865700 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL26646695 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL26646678 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL26646642 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL30694733 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL30694730 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL30532646 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BCDK2CDK9
SCHEMBL25865888 0.80 HTR2A (0.61) HTR2AHTR2CHTR2BCDK2CDK9

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