SCHEMBL27417349

SCHEMBL27417349

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.47
▸ JAK2 O60674 13/20 0.47
▸ JAK1 P23458 12/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL27417367 0.93 JAK3 (0.49) JAK3JAK2JAK1TYK2EGFR
SCHEMBL31711663 0.93 JAK3 (0.49) JAK3JAK2JAK1TYK2EGFR
SCHEMBL27414802 0.91 JAK3 (0.57) JAK3JAK2JAK1TYK2
SCHEMBL31711648 0.91 JAK3 (0.57) JAK3JAK2JAK1TYK2
SCHEMBL27417586 0.90 JAK3 (0.49) JAK3JAK2JAK1TYK2SMN1; SMN2
SCHEMBL27415834 0.87 JAK3 (0.59) JAK3JAK2JAK1TYK2
SCHEMBL27417930 0.87 JAK1 (0.52) JAK3JAK2JAK1TYK2SMN1; SMN2
SCHEMBL27415409 0.84 JAK3 (0.51) JAK3JAK2JAK1TYK2
SCHEMBL27416034 0.84 JAK3 (0.56) JAK3JAK2JAK1TYK2
SCHEMBL31711643 0.84 JAK3 (0.49) JAK3JAK2JAK1TYK2SMN1; SMN2

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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