SCHEMBL30281545

SCHEMBL30281545

O=C(Nc1cccc(-c2ncnc3[nH]ccc23)c1)c1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.69
▸ MELK Q14680 2/20 0.69
▸ JAK1 P23458 1/20 0.65
▸ ROCK2 O75116 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP3A5 P20815 1/20 0.58
▸ LIMK1 P53667 1/20 0.58
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TTBK1 Q5TCY1 1/20 0.50
▸ TTBK2 Q6IQ55 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ BTK Q06187 2/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ MAP2K4 P45985 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47

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
SCHEMBL25233916 1.00 JAK3 (0.69) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL21409411 0.90 JAK3 (0.73) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL30281597 0.90 JAK3 (0.73) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL3977917 0.85 JAK3 (0.64) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL28348803 0.79 JAK3 (1.00) JAK3MELKJAK1JAK2BTK
SCHEMBL28080559 0.76 JAK3 (0.74) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL24804956 0.76 JAK3 (0.72) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL20184394 0.74 JAK3 (0.69) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL28348684 0.74 JAK3 (0.69) JAK3MELKJAK1ROCK2CYP3A4
SCHEMBL3127395 0.74 ROCK2 (1.00) JAK3MELKROCK2CYP3A4CYP3A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589467-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 — — CN disclosed
CN-116589466-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 — — CN disclosed
EP-4146655-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene, Ltd. (KY) 2023-03-15 — — EP disclosed
CN-115485278-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2022-12-16 — — CN disclosed
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