SCHEMBL8257121

SCHEMBL8257121

COc1ncc(Cl)cc1-c1cnc(NC(=O)c2c(C)cccc2F)cn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.61
▸ ORAI1 Q96D31 1/20 0.61
▸ ORAI2 Q96SN7 1/20 0.61
▸ IL2 P60568 11/20 0.49
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5556022 0.94 STIM1 (0.53) STIM1ORAI1ORAI2IL2POLB
SCHEMBL8258488 0.87 IL2 (0.47) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL5550482 0.85 IL2 (0.47) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL15214056 0.85 IL2 (0.54) STIM1ORAI1ORAI2IL2POLB
SCHEMBL8263132 0.83 IL2 (0.47) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL8258539 0.83 STIM1 (0.53) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL5555303 0.82 IL2 (0.53) STIM1ORAI1ORAI2IL2POLB
SCHEMBL5550479 0.80 IL2 (0.51) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL5554305 0.79 IL2 (0.44) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL29216896 0.78 STIM1 (0.69) STIM1ORAI1ORAI2IL2NPC1

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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