SCHEMBL13212925

SCHEMBL13212925

COc1ccc(-n2nc(N3CCCC3)cc2-c2ccccn2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ METAP1 P53582 2/20 0.36
▸ BPTF Q12830 1/20 0.36
▸ PLD1 Q13393 1/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL2915785 0.81 ADORA2A (0.42) SMN1; SMN2MAPTMAPK1RAB9AKMT2A
SCHEMBL2918205 0.80 CYP2C9 (0.41) SMN1; SMN2MAPTMAPK1RAB9AKMT2A
SCHEMBL13213234 0.78 ADORA2A (0.38) —
SCHEMBL2916868 0.78 ABL1 (0.35) CNR2GAALMNAKMT2A
SCHEMBL2921476 0.77 CFTR (0.45) L3MBTL1
SCHEMBL2914146 0.77 RPA1 (0.45) MAPTTSHR
SCHEMBL13855348 0.77 ALDH1A1 (0.39) GAADCTPP1LMNATSHRKMT2A
SCHEMBL5265554 0.77 SYK (0.38) CNR2GAADCTPP1LMNAKMT2A
SCHEMBL2914740 0.76 GRM5 (0.40) GAADCTPP1LMNATSHRKMT2A
SCHEMBL5270200 0.76 ABL1 (0.35) GAALMNAKMT2A

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
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 — — EP disclosed
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