SCHEMBL9208929

SCHEMBL9208929

OCc1ccc(-c2ccccc2C2(C(c3ccccc3)(c3ccccc3)c3ccccc3)N=NN=N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.42
FYN P06241 3/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 3/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LTA4H P09960 1/20 0.33
AKT1 P31749 2/20 0.31
CHRM3 P20309 2/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL9570505 0.83
SCHEMBL9177576 0.76 AGTR1 (0.40)
SCHEMBL9660639 0.75 AGTR1 (0.38)
SCHEMBL9175146 0.75 PDK2 (0.36) PDK2
SCHEMBL9489948 0.75 ATM (0.44)
SCHEMBL9171970 0.75 ITGB1 (0.33)
SCHEMBL9177502 0.74 AGTR1 (0.37)
SCHEMBL9464089 0.73 TRPA1 (0.31) TSHR
SCHEMBL1034309 0.69 ENPP2 (0.31)
SCHEMBL9205048 0.68 KCNN4 (0.33) TSHR

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-0685467-A1 NOVEL PYRIMIDINE DERIVATIVE AND MEDICINAL COMPOSITION NKK CORPORATION (JP) 1995-12-06 EP disclosed
EP-0654030-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-24 EP disclosed