SCHEMBL31144058

SCHEMBL31144058

Cn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CO)(NC(=O)OC(C)(C)C)CC4)nc3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 17/20 0.53
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ JAK3 P52333 2/20 0.43

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
SCHEMBL31144029 0.89 RET (0.54) RETJAK2JAK1TYK2JAK3
SCHEMBL31144042 0.89 RET (0.53) RETJAK2JAK1TYK2JAK3
SCHEMBL28711629 0.88 RET (0.43) RET
SCHEMBL31144155 0.84 RET (0.56) RETJAK2JAK1TYK2JAK3
SCHEMBL31143978 0.82 JAK2 (0.48) RETJAK2JAK1TYK2JAK3
SCHEMBL31144083 0.80 RET (0.51) RET
SCHEMBL31143941 0.79 RET (0.55) RETJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL31143984 0.77 RET (0.55) RETJAK2JAK1TYK2JAK3
SCHEMBL31143999 0.76 RET (0.41) RET
SCHEMBL28711627 0.76 RET (0.41) RET

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-113461670-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-08-09 — — CN disclosed
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