SCHEMBL31143979

SCHEMBL31143979

Cn1cc(-c2cc3ncccc3c(-c3ccc(N4CC5CCC(C4)N5C(=O)Cc4ccc(F)cn4)nc3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.53
▸ JAK2 O60674 11/20 0.43
▸ JAK1 P23458 11/20 0.43
▸ TYK2 P29597 11/20 0.43
▸ JAK3 P52333 5/20 0.43
▸ CHRM1 P11229 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL31144023 0.87 RET (0.64) RETCHRM1
SCHEMBL31071756 0.84 RET (0.66) RETJAK2TYK2CHRM1
SCHEMBL31143941 0.81 RET (0.55) RETJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL31144027 0.76 RET (0.51) RETJAK2JAK1TYK2JAK3
SCHEMBL31071768 0.75 RET (0.66) RET
SCHEMBL31071829 0.74 RET (0.64) RETCHRM1
SCHEMBL31144160 0.74 RET (0.57) RETJAK2JAK1TYK2JAK3
SCHEMBL28719910 0.74 RET (0.57) RETJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL28701013 0.73 RET (0.56) RETJAK2JAK1TYK2JAK3
SCHEMBL31144112 0.73 RET (0.45) RETJAK2JAK1TYK2JAK3

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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