SCHEMBL29480647

SCHEMBL29480647

CC(c1ccc(-n2cc(-c3ccncc3)cn2)nc1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 4/20 0.51
▸ EGLN1 Q9GZT9 6/20 0.44
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GCG P01275 4/20 0.36
▸ CREBBP Q92793 1/20 0.34
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL29567290 0.79 EGLN1 (0.38) MELKEGLN1GCG
SCHEMBL22736230 0.76 GRM4 (0.38) EGLN1GCG
SCHEMBL29480721 0.76 GRM4 (0.38) EGLN1GCG
SCHEMBL29480523 0.75 ADORA2A (0.36) EGLN1GCG
SCHEMBL29480762 0.75 MELK (0.38) MELKEGLN1GCGFLT1FLT4
SCHEMBL29480652 0.74 EGLN1 (0.34) MELKEGLN1
SCHEMBL22735954 0.74 EGLN1 (0.34) MELKEGLN1
SCHEMBL22736339 0.72 GRM4 (0.35) EGLN1GCG
SCHEMBL8630577 0.68 MELK (1.00) MELKCYP3A4CYP2C9
SCHEMBL19501370 0.64 EGLN1 (0.51) EGLN1CYP3A4CYP2C9

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
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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