SCHEMBL23156336

SCHEMBL23156336

COc1ccc(Cn2cnnc2-c2[nH]nc(C)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCTL Q9NXS2 3/20 0.49
▸ PIK3R1 P27986 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MET P08581 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL23156292 0.87 QPCTL (0.50) QPCTLPIK3R1PIK3CAP2RX7GAA
SCHEMBL23156356 0.76 QPCTL (0.54) QPCTLPIK3R1PIK3CAP2RX7GAA
SCHEMBL23116078 0.75 QPCTL (0.46) QPCTLP2RX7CYP11B1CYP11B2KDM4E
SCHEMBL20413799 0.73 QPCTL (0.52) QPCTLP2RX7GAAGFERCYP11B1
SCHEMBL7512001 0.72 QPCTL (0.58) QPCTLP2RX7GAAGFERCYP11B1
SCHEMBL23115720 0.71 QPCTL (0.46) QPCTLP2RX7CYP11B1CYP11B2KDM4E
SCHEMBL26690111 0.70 QPCTL (0.45) QPCTLP2RX7GAAGFERCYP11B1
SCHEMBL14204032 0.69 QPCTL (0.48) QPCTLP2RX7CYP11B1CYP11B2KDM4E
SCHEMBL17982169 0.67 CYP11B2 (0.52) QPCTLP2RX7CYP11B1CYP11B2KDM4E
SCHEMBL23115689 0.67 QPCTL (0.49) QPCTLP2RX7CYP11B1CYP11B2KDM4E

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-2021059136-A1 POLYHETEROCYCLIC MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2021-04-01 — — WO disclosed
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