SCHEMBL12643662

SCHEMBL12643662

C=C(Nc1cnccc1C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GSK3A P49840 2/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ ATR Q13535 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AOC1 P19801 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ KDM4C Q9H3R0 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
SCHEMBL555073 0.81 NAMPT (0.48) GSK3BMAPTNAMPTATRSIRT3
SCHEMBL12955312 0.80 KDM4C (0.55) KDM4C
SCHEMBL24834528 0.75 SIRT3 (0.46) GSK3BMAPTGSK3APTGS1PTGS2
SCHEMBL7484295 0.75 NAMPT (0.43) NAMPTATRALDH1A1CYP17A1RAB9A
SCHEMBL13475708 0.72 TSHR (0.49) GSK3BMAPTGSK3AATRSMN1; SMN2
SCHEMBL13475948 0.71 NPC1 (0.46) GSK3BMAPTGSK3APTGS1PTGS2
SCHEMBL25890385 0.71 CYP11B1 (0.39) GSK3BMAPTGSK3ANAMPTCYP17A1
SCHEMBL30600744 0.71 KDM4C (0.50) GSK3BMAPTGSK3AATRKMT2A
SCHEMBL2033252 0.71 KDM4C (0.50) GSK3BMAPTGSK3AATRKMT2A
SCHEMBL692100 0.70 HPGD (0.49) GSK3BMAPTGSK3AATRALDH1A1

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-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO disclosed
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