SCHEMBL29480507

SCHEMBL29480507

CC(C)NC(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 3/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ GCGR P47871 1/20 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
SCHEMBL29480615 0.93 GRM4 (0.32) GCGGRM4JAK1JAK2GCGR
SCHEMBL29480456 0.91 GCG (0.33) GCGGRM4JAK1JAK2TYK2
SCHEMBL29480486 0.86 JAK2 (0.34) GCGGRM4JAK1JAK2TYK2
SCHEMBL29480510 0.85 JAK2 (0.32) GCGGRM4JAK1JAK2TYK2
SCHEMBL29480546 0.84 GCG (0.34) GCGJAK1JAK2TYK2JAK3
SCHEMBL29480483 0.83 JAK2 (0.36) GRM4JAK1JAK2TYK2JAK3
SCHEMBL29480476 0.82 GCG (0.35) GCGJAK1JAK2TYK2JAK3
SCHEMBL22736163 0.82 JAK2 (0.31) GCGGRM4JAK2GCGR
SCHEMBL22716892 0.82 JAK2 (0.31) GCGGRM4JAK2GCGR
SCHEMBL22716893 0.82 JAK2 (0.31) GCGGRM4JAK2GCGR

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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