SCHEMBL2854820

SCHEMBL2854820

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
DDR1 Q08345 1/20 0.47
MAPK11 Q15759 1/20 0.47
DDR2 Q16832 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47
MAP3K2 Q9Y2U5 1/20 0.47
KDM1A O60341 2/20 0.43
HDAC1 Q13547 2/20 0.43
CASR P41180 1/20 0.43
SORT1 Q99523 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR1 P32246 5/20 0.42
LSS P48449 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KLKB1 P03952 1/20 0.40
IDH1 O75874 1/20 0.40
TRPC3 Q13507 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
SCHEMBL2859298 0.86 DDR1 (0.49) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2857615 0.83 MTOR (0.37) MAPK14KDM1AHDAC1LSS
SCHEMBL2861147 0.81 KDM4E (0.67) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2850548 0.80 CCR1 (0.61) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2850508 0.80 CCR1 (0.48) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2856252 0.80 P2RX1 (0.49) CCR1TRPC3
SCHEMBL2855580 0.79 CCR1 (0.62) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2850153 0.78 KDM4E (0.63) MAPK14DDR1MAPK11DDR2TMEM97
SCHEMBL2855376 0.77 CCR1 (0.60) CCR1HPGD
SCHEMBL2857815 0.77 MAPT (0.59) KDM4EALDH1A1

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