SCHEMBL23764044

SCHEMBL23764044

OC(Nc1ccc(F)cc1)c1nc2cccc(-c3ccccc3F)n2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 2/20 0.44
▸ NUDT1 P36639 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ CTSA P10619 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL23764113 0.78 IL2 (0.39) NUDT1JAK1JAK2JAK3
SCHEMBL23754207 0.75 JAK1 (0.51) EGLN2JAK1TYK2RAB9AJAK2
SCHEMBL2145114 0.71 EGLN2 (0.49) EGLN2JAK1TYK2JAK2JAK3
SCHEMBL13504386 0.71 NUDT1 (0.62) EGLN2NUDT1JAK1MKNK1JAK3
SCHEMBL19659253 0.67 EGLN2 (0.50) EGLN2NUDT1JAK1TYK2RAB9A
SCHEMBL2144470 0.65 JAK2 (0.56) JAK1TYK2RAB9AJAK2MEN1
SCHEMBL13031263 0.64 JAK1 (0.72) JAK1TYK2JAK2JAK3
SCHEMBL3214328 0.64 JAK2 (0.65) JAK1JAK2JAK3
SCHEMBL3204109 0.62 JAK2 (0.49) EGLN2NUDT1JAK1TYK2JAK2
SCHEMBL23764043 0.62 JAK1 (0.42) JAK1JAK2IDO1

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-2021161084-A1 N-(4-FLUOROPHENYL)-5-PHENYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR SYNTHESIS THEREOF NINGEGOWDA RAGHU (IN) 2021-08-19 — — WO disclosed
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