SCHEMBL31275552

SCHEMBL31275552

Cc1cc(Nc2cc(C)[nH]n2)nc(N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-n3cc(F)cn3)nc2)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.59
JAK2 O60674 2/20 0.54
FLT3 P36888 2/20 0.54
KIF5B P33176 1/20 0.50
KDR P35968 1/20 0.50
CCDC6 Q16204 1/20 0.50

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
SCHEMBL31275575 0.95 RET (0.57) RETJAK2FLT3KIF5BKDR
SCHEMBL28991143 0.89 RET (0.54) RETJAK2FLT3KIF5BKDR
SCHEMBL30853300 0.88 RET (0.58) RETJAK2FLT3KIF5BKDR
SCHEMBL28601255 0.87 RET (0.63) RETJAK2FLT3KIF5BKDR
SCHEMBL24409213 0.85 RET (0.55) RETJAK2FLT3KIF5BKDR
SCHEMBL30728233 0.85 RET (0.55) RETJAK2FLT3KIF5BKDR
SCHEMBL24409106 0.85 RET (0.54) RETJAK2FLT3KIF5BKDR
SCHEMBL22546714 0.84 RET (0.59) RETJAK2FLT3KIF5BKDR
SCHEMBL29647914 0.84 RET (0.59) RETJAK2FLT3KIF5BKDR
SCHEMBL28431294 0.81 RET (0.62) 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-113135896-B Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2024-12-06 CN disclosed