SCHEMBL9072457

SCHEMBL9072457

COC(=O)CCSc1cnc(N)c(Sc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL16429390 0.89 HSD17B10 (0.36) CYP1A2CYP3A4CYP2C19CA2CA4
SCHEMBL15196329 0.87 ALDH1A1 (0.39) CA2CA4CA12CA1CA3
SCHEMBL2668579 0.81 ATM (0.39) CYP1A2CYP3A4CYP2D6CYP2C19ATM
SCHEMBL16488510 0.79 CXCR1 (0.38) ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL1328140 0.77 GCK (0.53) ALDH1A1LMNA
SCHEMBL28897181 0.76 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19ATM
Hydrochloric Acid SCHEMBL1329844 0.76 GCK (0.52) ALDH1A1LMNA
SCHEMBL15196328 0.73 HPGD (0.44) ALDH1A1LMNAL3MBTL1KDM4EMAPT
SCHEMBL2667557 0.72 ATM (0.39) ATMALDH1A1LMNAMEN1KMT2A
SCHEMBL9072456 0.72 CXCR1 (0.45) RAB9AL3MBTL1TDP1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013204-B1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2015-02-18 — — EP disclosed
EP-2543667-B1 A method of preparing 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC (US) 2015-01-28 — — EP disclosed
EP-2543667-A9 2-aminopyridine analogs as glucokinase activators Array Biopharma, Inc. (US) 2013-08-21 — — EP disclosed
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 — — WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 — — WO disclosed
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