SCHEMBL30239455

SCHEMBL30239455

CCN1C(=O)CN([C@@H](C)c2ccc(-n3cc(F)cn3)nc2)C(=O)C12CCC1(CC2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.44
JAK2 O60674 2/20 0.43
FLT3 P36888 2/20 0.43
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
CCDC6 Q16204 1/20 0.32

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
SCHEMBL30239183 0.89 RET (0.46) RETJAK2FLT3KIF5BKDR
SCHEMBL30239197 0.89 RET (0.43) RETJAK2FLT3KIF5BKDR
SCHEMBL22041795 0.89 RET (0.43) RETJAK2FLT3KIF5BKDR
SCHEMBL22041801 0.89 RET (0.43) RETJAK2FLT3KIF5BKDR
SCHEMBL22041858 0.87 RET (0.43) RETJAK2FLT3KIF5BKDR
SCHEMBL22041857 0.87 RET (0.43) RETJAK2FLT3KIF5BKDR
SCHEMBL30239632 0.81 RET (0.42) RETJAK2FLT3KIF5BKDR
SCHEMBL22041667 0.81 RET (0.42) RETJAK2FLT3KIF5BKDR
SCHEMBL22041672 0.81 RET (0.42) RETJAK2FLT3KIF5BKDR
SCHEMBL22041703 0.81 RET (0.39) RETJAK2FLT3KIF5BKDR

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-111285875-B Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技股份有限公司 2023-02-03 CN disclosed