SCHEMBL30475796

SCHEMBL30475796

CCc1nc2cccc(F)c2c(=O)n1C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
PIK3CD O00329 13/20 0.46
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPT P10636 1/20 0.42
PIK3R1 P27986 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL22041563 1.00 CRHBP (0.48) CRHBPCRHR2HRH3PIK3CDPIK3CA
SCHEMBL16597162 0.85 HSP90AB1 (0.49) PIK3CDMAPTMEN1ALDH1A1LMNA
SCHEMBL16597163 0.80 CRHBP (0.45) CRHBPCRHR2HRH3PIK3CDPIK3CG
SCHEMBL30475817 0.78 PIK3CD (0.47) HRH3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22041485 0.78 PIK3CD (0.47) HRH3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22238025 0.78 HTR3A (0.36) CRHBPCRHR2HRH3PIK3CDMEN1
SCHEMBL16596949 0.78 GAA (0.53) CRHBPCRHR2HRH3PIK3CDPIK3CA
SCHEMBL21185376 0.77 CRHBP (0.43) CRHBPCRHR2PIK3CDPIK3CAPIK3CB
SCHEMBL22519319 0.76 PIK3CD (0.56) CRHBPCRHR2PIK3CD
SCHEMBL12264013 0.76 CYP11B2 (0.52) MEN1LMNAKMT2AGAA

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
CN-111269231-B Selective PI3K delta inhibitor and application thereof 安徽中科拓苒药物科学研究有限公司 2023-06-09 CN disclosed