SCHEMBL29480692

SCHEMBL29480692

Nc1nccc(-c2cnn(-c3ccc(C(C(=O)NCC(F)(F)F)C4CC4)cn3)c2)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.34
▸ GCG P01275 7/20 0.33
▸ JAK2 O60674 3/20 0.32
▸ ACACB O00763 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ RET P07949 1/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL22735768 0.89 JAK1 (0.36) JAK1GCGJAK2ACACBRET
SCHEMBL29480749 0.89 JAK1 (0.36) JAK1GCGJAK2ACACBRET
SCHEMBL29480595 0.81 JAK1 (0.40) JAK1GCGJAK2ACACBRET
SCHEMBL22736198 0.81 JAK1 (0.40) JAK1GCGJAK2ACACBRET
SCHEMBL22735769 0.80 EGLN1 (0.33) —
SCHEMBL29480690 0.80 OGA (0.34) —
SCHEMBL29480665 0.78 RIPK2 (0.33) GCG
SCHEMBL22716891 0.78 RIPK2 (0.34) GCGJAK2
SCHEMBL29480664 0.78 RIPK2 (0.34) GCGJAK2
SCHEMBL22716927 0.78 RIPK2 (0.33) GCG

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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
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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