SCHEMBL22736007

SCHEMBL22736007

c1cc(-c2cnn(-c3ccc(CN4CCOCC4)cn3)c2)c2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ CCNC P24863 8/20 0.39
▸ CDK8 P49336 8/20 0.39
▸ CDK19 Q9BWU1 4/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ KDM4A O75164 2/20 0.37
▸ KDM4B O94953 2/20 0.37
▸ KDM5C P41229 2/20 0.37
▸ KDM5B Q9UGL1 2/20 0.37
▸ GRM4 Q14833 2/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL29567173 1.00 LRRK2 (0.43) LRRK2MAPK1CCNCCDK8CDK19
SCHEMBL29480516 0.89 KDM4A (0.36) LRRK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL29568119 0.87 JAK2 (0.35) KDM4AKDM4BKDM5CKDM5BGRM4
SCHEMBL29480520 0.83 JAK1 (0.34) LRRK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL22736015 0.83 JAK1 (0.34) LRRK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL22716765 0.82 GRM4 (0.34) MAPK1CCNCCDK8KDM4AKDM4B
SCHEMBL29568500 0.82 GRM4 (0.34) MAPK1CCNCCDK8KDM4AKDM4B
SCHEMBL22736280 0.82 GRM4 (0.38) MAPK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL29480555 0.82 GRM4 (0.38) MAPK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL22736009 0.81 MAPK1 (0.38) LRRK2MAPK1CCNCCDK8KDM4A

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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