SCHEMBL5773625

SCHEMBL5773625

O=C(NCc1ccncc1)c1ccc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MMP13 P45452 4/20 0.51
ROCK2 O75116 2/20 0.50
PRKCG P05129 2/20 0.50
AKT1 P31749 2/20 0.50
SGK1 O00141 1/20 0.50
CHEK1 O14757 1/20 0.50
CHEK2 O96017 1/20 0.50
AKT2 P31751 1/20 0.50
MARK2 Q7KZI7 1/20 0.50
AKT3 Q9Y243 1/20 0.50
MAPK1 P28482 2/20 0.49
MAPK3 P27361 1/20 0.49
CA2 P00918 1/20 0.49
CYP3A4 P08684 4/20 0.48
MAPK14 Q16539 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RPS6KA5 O75582 1/20 0.48

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
SCHEMBL19260062 0.88 RAB9A (0.52) ROCK2PRKCGAKT1MAPK1MAPK3
SCHEMBL6981710 0.81 KDM4E (0.60) ROCK2PRKCGAKT1MAPK1MAPK3
SCHEMBL27370813 0.79 KDM4E (0.54) ROCK2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28523618 0.79 KDM4E (0.49) GSK3BALDH1A1
SCHEMBL25781080 0.79 IDO1 (0.51) ROCK2CYP3A4MAPK14HTTSMN1; SMN2
SCHEMBL19707682 0.79 L3MBTL1 (0.52) ROCK2CYP3A4MAPK14LMNAALDH1A1
SCHEMBL23063877 0.77 ALDH1A1 (0.54) GAAMMP13ROCK2MAPK1CA2
SCHEMBL31253145 0.77 ALDH1A1 (0.54) GAAMMP13ROCK2MAPK1CA2
SCHEMBL2927034 0.74 EPHX2 (0.55) ROCK2ROCK1
SCHEMBL1569157 0.74 L3MBTL1 (0.77) GAAMMP13ROCK2PRKCGAKT1

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-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed