SCHEMBL22736498

SCHEMBL22736498

CCN1CCC(C(O)(c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 5/20 0.36
▸ KDM4B O94953 5/20 0.36
▸ KDM5C P41229 5/20 0.36
▸ KDM5B Q9UGL1 5/20 0.36
▸ CASP3 P42574 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.30
▸ KDM3A Q9Y4C1 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPB Q9Y5S2 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL22736501 1.00 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL29480599 1.00 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL29480602 1.00 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL22735740 0.95 KDM4A (0.39) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL29480482 0.95 KDM4A (0.39) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL22735866 0.94 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL29480521 0.94 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BCASP3
SCHEMBL22735710 0.90 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5B
SCHEMBL22735709 0.90 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5B
SCHEMBL29480604 0.90 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5B

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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