SCHEMBL20202028

SCHEMBL20202028

Cc1ncnc2c(OCC3CC3)c(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 4/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ RET P07949 3/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KIF5B P33176 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL21325055 0.83 RIPK1 (0.33) PIK3R1PIK3CAALOX5APFEN1RET
SCHEMBL21534011 0.76 HTR2C (0.36) ALOX5APFEN1HTR2CHTR7HTR2B
SCHEMBL21325050 0.75 HTR2B (0.35) ALOX5APFEN1HTR2CHTR7HTR2B
SCHEMBL20204677 0.72 PDE2A (0.37) ALOX5APFEN1PDE10APDE2AFFAR4
SCHEMBL20376461 0.71 CYP1A2 (0.38) ALOX5APFEN1PDE10AHTR2CHTR7
SCHEMBL21690529 0.71 ALOX5AP (0.34) ALOX5APFEN1HTR2CHTR7HTR2B
SCHEMBL21325060 0.70 ALOX5AP (0.33) ALOX5APFEN1HTR2CHTR7HTR2B
SCHEMBL332545 0.70 ABCB1 (0.38) PIK3R1PIK3CARETKDR
SCHEMBL21325059 0.69 PDE3B (0.35) ALOX5APFEN1HTR2CHTR7HTR2B
SCHEMBL20350917 0.68 PIK3CA (0.42) PIK3R1PIK3CARETPDE10AKDR

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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