SCHEMBL15701115

SCHEMBL15701115

O=C(Cc1cccc(CF)c1)Nc1ccc2nc(NC(=O)c3cscn3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DYRK2 Q92630 1/20 0.50
CSNK1D P48730 11/20 0.49
DYRK1A Q13627 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL15701013 0.89 CSNK1D (0.66) MAPTL3MBTL1DYRK2CSNK1D
SCHEMBL15701156 0.87 RIPK1 (0.49) MAPTL3MBTL1DYRK2CSNK1DDYRK1A
SCHEMBL15701151 0.86 CSNK1D (0.57) MAPTDYRK2CSNK1DDYRK1ARAB9A
SCHEMBL15701111 0.85 CSNK1D (0.69) DYRK2CSNK1D
SCHEMBL15701166 0.84 RAB9A (0.46) MAPTCSNK1DRAB9ANPC1CASP3
SCHEMBL15701230 0.83 DYRK2 (0.50) MAPTL3MBTL1DYRK2CSNK1DDYRK1A
SCHEMBL15701138 0.83 WNT3A (0.58) MAPTL3MBTL1CSNK1DRAB9ANPC1
SCHEMBL15701287 0.82 LMNA (0.65) MAPTCSNK1DSMN1; SMN2POLBKDM4E
SCHEMBL15701153 0.82 CSNK1D (0.61) MAPTDYRK2CSNK1DRAB9ASMN1; SMN2
SCHEMBL17148444 0.79 CSNK1D (0.50) MAPTCSNK1DRAB9ANPC1SMN1; SMN2

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-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO disclosed