SCHEMBL22736006

SCHEMBL22736006

FC(F)(F)Cc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 7/20 0.36
▸ JAK1 P23458 4/20 0.33
▸ AURKA O14965 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ INCENP Q9NQS7 2/20 0.32
▸ TPX2 Q9ULW0 2/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ HTR2B P41595 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM4B O94953 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ KDM5B Q9UGL1 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
SCHEMBL29567447 1.00 GRM4 (0.36) GRM4JAK1AURKAAURKBINCENP
SCHEMBL29480447 0.88 GRM4 (0.32) GRM4JAK1AURKAAURKBINCENP
SCHEMBL29480555 0.86 GRM4 (0.38) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736280 0.86 GRM4 (0.38) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567090 0.85 GRM4 (0.34) GRM4JAK1JAK2EGLN1
SCHEMBL22736286 0.85 GRM4 (0.34) GRM4JAK1JAK2EGLN1
SCHEMBL22716864 0.84 JAK1 (0.45) GRM4JAK1JAK2JAK3EGLN1
SCHEMBL29480628 0.84 JAK1 (0.45) GRM4JAK1JAK2JAK3EGLN1
SCHEMBL22736489 0.84 GRM4 (0.33) GRM4JAK1JAK2KDM4AKDM4B
SCHEMBL29567716 0.84 GRM4 (0.33) GRM4JAK1JAK2KDM4AKDM4B

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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