SCHEMBL4295694

SCHEMBL4295694

Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL782705 0.75 PI4KA (0.56) PARP1MEN1KMT2AMAPTGAA
SCHEMBL30983935 0.74 PIM1 (0.37) PARP1GAAPI4KAPI4K2BPI4K2A
SCHEMBL4295696 0.72 KDM4E (0.39) PARP1MEN1KMT2AMAPTGAA
SCHEMBL2371989 0.71 JAK2 (0.49) JAK2TYK2
SCHEMBL5695310 0.69 NPC1 (0.68) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL783767 0.69 PI4KA (0.50) PARP1MEN1KMT2AMAPTGAA
SCHEMBL783584 0.68 PARP1 (0.53) PARP1GAAKDM4EALDH1A1MGAM
SCHEMBL2202986 0.67 ALDH1A1 (0.43) MEN1KMT2AMAPTGAAPOLB
SCHEMBL783583 0.66 PARP1 (0.47) PARP1MEN1KMT2AMAPTGAA
SCHEMBL30983897 0.66 PIM1 (0.45) CYP3A4CYP2C9PIM1CSNK2A2CSNK2B

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
WO-2009079000-A1 IMIDAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed