SCHEMBL2850360

SCHEMBL2850360

CCCc1c(C(=O)Nc2ccncc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 7/20 0.60
MAPK14 Q16539 6/20 0.57
GAA P10253 2/20 0.54
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.50
PKM P14618 1/20 0.48
NR3C1 P04150 1/20 0.48
NT5E P21589 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2854490 0.82 MAPT (0.50) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2852439 0.82 MAPT (0.56) MAPTALDH1A1MAPK14GAALMNA
SCHEMBL2856945 0.81 ALDH1A1 (0.81) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2854295 0.81 MAPK14 (0.68) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL1403169 0.80 MAPT (0.54) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2079637 0.80 NR4A3 (0.59) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2856280 0.78 MAPK14 (0.55) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2855512 0.77 MALT1 (0.55) MAPTALDH1A1POLBNR3C1NT5E
SCHEMBL1403425 0.77 HSD11B1 (0.56) MAPTALDH1A1MAPK14GAAMAPK1
SCHEMBL2854493 0.77 GPR142 (0.56) MAPTALDH1A1MAPK14GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed