SCHEMBL9877207

SCHEMBL9877207

CN(C)C=NC(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
BRAF P15056 15/20 0.54
TLR8 Q9NR97 1/20 0.49
RAF1 P04049 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL9877202 0.86 TLR8 (0.67) KDM4EBRAFTLR8
SCHEMBL9728825 0.86 TLR8 (0.67) KDM4EBRAFTLR8
SCHEMBL9728973 0.85 CLK4 (0.61) KDM4ETLR8
SCHEMBL9728968 0.85 CLK4 (0.61) KDM4ETLR8
SCHEMBL3172240 0.83 KDM4E (0.80) KDM4EBRAFTLR8
SCHEMBL3175469 0.83 KDM4E (0.83) KDM4EBRAFTLR8
SCHEMBL9728647 0.82 KDM4E (0.48) KDM4EBRAFRAF1MAPK14
SCHEMBL9878320 0.82 KDM4E (0.48) KDM4EBRAFRAF1MAPK14
SCHEMBL11464152 0.82 KDM4E (0.81) KDM4EBRAFTLR8
SCHEMBL8435070 0.81 KDM4E (1.00) KDM4EBRAFTLR8

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
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US claimed