SCHEMBL20008158

SCHEMBL20008158

C/C=C(C(=N/C=C/c1cc(NC)cnc1C)\N(C)C)/N1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL20008361 0.67 KMT2A (0.35) KDM4EALDH1A1GAA
SCHEMBL20008379 0.60
SCHEMBL20008388 0.59 KDM4E (0.31) KDM4E
SCHEMBL20008394 0.59 RAB9A (0.33) KDM4EALDH1A1GAA
SCHEMBL20008172 0.58
SCHEMBL20008142 0.58
SCHEMBL20008513 0.57 RAF1 (0.61)
SCHEMBL8511208 0.55 POLB (0.53) KDM4EALDH1A1
SCHEMBL20008794 0.55 RAF1 (0.50)
SCHEMBL3351392 0.54 CYP2A6 (0.42) KDM4EALDH1A1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed