SCHEMBL27417586

SCHEMBL27417586

CCOC(=O)c1cnc(Nc2cnn(C)c2)nc1Nc1cccc(-c2nc3ccccc3o2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.49
▸ JAK1 P23458 10/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TYK2 P29597 5/20 0.46
▸ JAK2 O60674 6/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALK Q9UM73 2/20 0.46
▸ CDC7 O00311 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ PAK4 O96013 2/20 0.46
▸ PIM1 P11309 2/20 0.46

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
SCHEMBL27419743 0.91 JAK3 (0.50) JAK3JAK1TYK2JAK2ALK
SCHEMBL27417930 0.91 JAK1 (0.52) JAK3JAK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL27417349 0.90 JAK3 (0.47) JAK3JAK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL27294980 0.90 SMN1; SMN2 (0.44) JAK3SMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL31711654 0.90 JAK3 (0.59) JAK3JAK1TYK2JAK2ALK
SCHEMBL27414876 0.90 JAK3 (0.59) JAK3JAK1TYK2JAK2ALK
SCHEMBL27417192 0.87 JAK3 (0.49) JAK3JAK1SMN1; SMN2TYK2JAK2
SCHEMBL27294412 0.87 ALDH1A1 (0.47) JAK1SMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL27294154 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPC1PKMRAB9A
SCHEMBL31711633 0.84 MET (0.46) JAK3JAK1SMN1; SMN2ALDH1A1NPC1

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-2024137548-A2 INHIBITORS OF JAK2 Llydaw Therapeutics, Inc. (US) 2024-06-27 — — WO disclosed
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