SCHEMBL2859025

SCHEMBL2859025

CN(Cc1cccnc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
RIPK1 Q13546 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
PYGL P06737 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR1 P32246 2/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
ABCB1 P08183 1/20 0.40
DHODH Q02127 1/20 0.39
CXCR3 P49682 1/20 0.39
MTOR P42345 1/20 0.39
LMNA P02545 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2854455 0.91 KMT2A (0.50) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2854614 0.84 MAPT (0.49) RIPK1MAPTALDH1A1PYGLKMT2A
SCHEMBL2858009 0.84 SMN1; SMN2 (0.43) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2850439 0.82 KMT2A (0.53) NAMPTKMT2AMEN1MAPK1ABCB1
SCHEMBL2855318 0.79 ROCK1 (0.43) MAPTALDH1A1MAPK1CCR1NPC1
SCHEMBL2854441 0.78 RAB9A (0.45) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2853095 0.78 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2858117 0.76 MAPT (0.41) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL2856094 0.75 MAPT (0.42) MAPTALDH1A1CCR1NPC1RAB9A
SCHEMBL2858063 0.75 MAPT (0.57) MAPTALDH1A1CCR1LMNANPC1

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