SCHEMBL1070820

SCHEMBL1070820

CNC(=O)C(Nc1ncc2ccnc-2[nH]1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.37
MMP3 P08254 5/20 0.37
TACR3 P29371 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
EP300 Q09472 2/20 0.37
MAPK1 P28482 2/20 0.36
MMP2 P08253 5/20 0.35
MMP9 P14780 5/20 0.35
MMP14 P50281 4/20 0.35
LMNA P02545 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34

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
SCHEMBL30083304 0.70 PIN1 (0.37) PIN1
SCHEMBL6642020 0.70 MAPT (0.50) MMP1MMP3TACR3MMP2MMP9
SCHEMBL312896 0.66 SMN1; SMN2 (0.41) LMNA
SCHEMBL12463242 0.66 LMNA (0.53) MMP1MMP3TACR3MMP2MMP9
SCHEMBL15028526 0.66 LMNA (0.53) MMP1MMP3TACR3MMP2MMP9
SCHEMBL1070811 0.65 ROCK2 (0.40) MMP1MMP3TACR3MMP2MMP9
SCHEMBL13956904 0.62 MMP1 (0.54) MMP1MMP3TACR3MMP2MMP9
SCHEMBL13649413 0.62 MMP1 (0.54) MMP1MMP3TACR3MMP2MMP9
SCHEMBL13686129 0.62 MMP1 (0.54) MMP1MMP3TACR3MMP2MMP9
SCHEMBL8816338 0.62 PIN1 (0.43) LMNAPIN1

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed