SCHEMBL25865822

SCHEMBL25865822

CC1C=C(c2c[nH]c3ncccc23)C(C)(C)N(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
PDPK1 O15530 4/20 0.43
TGFBR1 P36897 3/20 0.43
IKBKE Q14164 2/20 0.43
TBK1 Q9UHD2 1/20 0.43
DYRK1A Q13627 2/20 0.43
CDK2 P24941 5/20 0.42
CCNT1 O60563 4/20 0.42
CCNA2 P20248 4/20 0.42
CDK9 P50750 4/20 0.42
RET P07949 2/20 0.42
CDC7 O00311 8/20 0.40
PRKACA P17612 3/20 0.40
GSK3B P49841 3/20 0.40
HIPK2 Q9H2X6 3/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
CDK1 P06493 2/20 0.40
TYK2 P29597 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
SCHEMBL25865819 0.81 HTR2A (0.59) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL25865829 0.81 TGFBR1 (0.44) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL25865809 0.80 HTR2A (0.46) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL30694730 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL26646642 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL30694733 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL26646678 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL30532646 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL26646695 0.77 HTR2A (0.64) HTR2AHTR2CHTR2BPDPK1TGFBR1
SCHEMBL25865806 0.74 HTR2A (0.48) HTR2AHTR2CHTR2BPDPK1TGFBR1

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