SCHEMBL28693185

SCHEMBL28693185

N#Cc1ccc(Cc2cncn2Cc2ccc(-n3cccnc3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.52
CYP11B2 P19099 7/20 0.52
FNTA P49354 10/20 0.48
FNTB P49356 10/20 0.48
PGGT1B P53609 5/20 0.48
CYP19A1 P11511 1/20 0.46
NRAS P01111 1/20 0.45
HRAS P01112 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL446009 0.86 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8106993 0.79 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL448443 0.78 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6316290 0.77 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891408 0.77 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8114048 0.77 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8684354 0.76 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8107070 0.76 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL5891899 0.76 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3501862 0.75 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS

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-108289922-B Therapeutic methods and compositions for treating non-small cell lung cancer 友杏生技医药股份有限公司 2022-02-08 CN disclosed