SCHEMBL29480447

SCHEMBL29480447

CC(O)(CCC(F)(F)F)Cc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.32
▸ JAK1 P23458 4/20 0.31
▸ JAK2 O60674 4/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 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
SCHEMBL22736006 0.88 GRM4 (0.36) GRM4JAK1JAK2TYK2JAK3
SCHEMBL29567447 0.88 GRM4 (0.36) GRM4JAK1JAK2TYK2JAK3
SCHEMBL29480555 0.81 GRM4 (0.38) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736280 0.81 GRM4 (0.38) GRM4JAK2AURKAAURKBINCENP
SCHEMBL29567090 0.80 GRM4 (0.34) GRM4JAK1JAK2
SCHEMBL22736286 0.80 GRM4 (0.34) GRM4JAK1JAK2
SCHEMBL22736183 0.80 GRM4 (0.35) GRM4JAK1AURKAAURKBINCENP
SCHEMBL29480474 0.80 GRM4 (0.35) GRM4JAK1AURKAAURKBINCENP
SCHEMBL22735728 0.80 GRM4 (0.36) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480712 0.80 GRM4 (0.36) GRM4AURKAAURKBINCENPTPX2

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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