SCHEMBL22736009

SCHEMBL22736009

FC(F)(F)C(CN1CCOCC1)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ GRM4 Q14833 3/20 0.33
▸ MELK Q14680 2/20 0.33
▸ KDM4A O75164 3/20 0.32
▸ KDM4B O94953 3/20 0.32
▸ KDM5C P41229 3/20 0.32
▸ KDM5B Q9UGL1 3/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ LRRK2 Q5S007 2/20 0.31

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
SCHEMBL29567579 1.00 MAPK1 (0.38) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL29567713 0.92 MAPK1 (0.42) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL22736186 0.92 MAPK1 (0.42) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL22736503 0.90 MELK (0.34) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL29567670 0.90 MELK (0.34) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL29567903 0.87 MAPK1 (0.34) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL22736180 0.87 MAPK1 (0.34) MAPK1GRM4MELKKDM4AKDM4B
SCHEMBL22736024 0.87 GRM4 (0.36) MAPK1GRM4CCNCCDK8
SCHEMBL22735745 0.84 GRM4 (0.34) MAPK1GRM4
SCHEMBL29567619 0.84 GRM4 (0.34) MAPK1GRM4

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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