SCHEMBL29480587

SCHEMBL29480587

O=C(C(CC(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.35
▸ GCG P01275 2/20 0.34
▸ JAK1 P23458 3/20 0.33
▸ CCNC P24863 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ MELK Q14680 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ TAF1 P21675 1/20 0.30
▸ CECR2 Q9BXF3 1/20 0.30
▸ BRD9 Q9H8M2 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
SCHEMBL22736024 0.86 GRM4 (0.36) GRM4GCGJAK1CCNCCDK8
SCHEMBL29480608 0.85 GCG (0.36) GRM4GCGJAK1JAK2KDM4A
SCHEMBL29480539 0.85 GCG (0.34) GRM4GCGJAK1JAK2GCGR
SCHEMBL29567903 0.82 MAPK1 (0.34) GRM4MAPK1MELKKDM4AKDM4B
SCHEMBL22736180 0.82 MAPK1 (0.34) GRM4MAPK1MELKKDM4AKDM4B
SCHEMBL22736009 0.82 MAPK1 (0.38) GRM4CCNCCDK8MAPK1MELK
SCHEMBL29567579 0.82 MAPK1 (0.38) GRM4CCNCCDK8MAPK1MELK
SCHEMBL22736186 0.80 MAPK1 (0.42) GRM4CCNCCDK8MAPK1MELK
SCHEMBL29567713 0.80 MAPK1 (0.42) GRM4CCNCCDK8MAPK1MELK
SCHEMBL29480476 0.80 GCG (0.35) GCGJAK1JAK2GCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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