SCHEMBL25865829

SCHEMBL25865829

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.44
PDPK1 O15530 3/20 0.44
IKBKE Q14164 3/20 0.44
TBK1 Q9UHD2 2/20 0.44
CDK2 P24941 5/20 0.44
CDK9 P50750 5/20 0.44
CCNT1 O60563 4/20 0.44
CCNA2 P20248 4/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
DYRK1A Q13627 3/20 0.41
RET P07949 1/20 0.41
BRD4 O60885 1/20 0.41
CDC7 O00311 3/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
GSK3B P49841 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40

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
SCHEMBL25865822 0.81 HTR2A (0.51) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865826 0.80 TGFBR1 (0.44) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865813 0.79 TGFBR1 (0.45) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865804 0.78 HTR2A (0.47) TGFBR1PDPK1IKBKETBK1CDK2
Hydrochloric Acid SCHEMBL31327403 0.77 HTR2A (0.46) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865809 0.74 HTR2A (0.46) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865811 0.73 CAMKK2 (0.45) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25865817 0.72 HTR2A (0.47) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL25866085 0.72 TGFBR1 (0.44) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL5618155 0.71 TGFBR1 (0.71) TGFBR1PDPK1IKBKETBK1CDK2

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