SCHEMBL1646113

SCHEMBL1646113

O=C(Nc1c[nH]nc1-c1nc2cccc(C(=O)O)c2[nH]1)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TP53 P04637 2/20 0.37
BCL3 P20749 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
NOD2 Q9HC29 1/20 0.35
PRSS12 P56730 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL1645958 0.84 DHODH (0.54) DHODH
SCHEMBL1646494 0.83 MAPT (0.60) MAPTMEN1KMT2ATP53POLB
SCHEMBL5113349 0.83 MAPT (0.39) MAPTMEN1KMT2APOLBNPC1
SCHEMBL12252539 0.80 MAPT (0.48) MAPTMEN1KMT2ATP53POLB
SCHEMBL8302422 0.80 MEN1 (0.41) MAPTMEN1KMT2ATP53POLB
SCHEMBL1645062 0.80 MAPT (0.47) MAPTMEN1KMT2ATP53NPC1
SCHEMBL1647416 0.78 L3MBTL1 (0.43) MAPTMEN1KMT2ATP53POLB
SCHEMBL1645923 0.78 PRSS12 (0.49) MAPTMEN1KMT2APOLBPRSS12
SCHEMBL8305324 0.78 MAPT (0.46) MAPTMEN1KMT2APOLBNPC1
SCHEMBL1647120 0.78 MAPT (0.48) MAPTMEN1KMT2ATP53POLB

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-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed