SCHEMBL21744882

SCHEMBL21744882

Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)nc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 19/20 0.56
JAK2 O60674 2/20 0.43
FLT3 P36888 1/20 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
SCHEMBL21744640 1.00 RET (0.56) RETJAK2FLT3
SCHEMBL21744878 1.00 RET (0.56) RETJAK2FLT3
SCHEMBL28611813 0.87 RET (0.58) RETJAK2FLT3
SCHEMBL31275835 0.87 RET (0.58) RETJAK2FLT3
SCHEMBL28611812 0.87 RET (0.58) RETJAK2FLT3
SCHEMBL31275936 0.86 RET (0.55) RETJAK2FLT3
SCHEMBL31275884 0.86 RET (0.58) RETJAK2FLT3
SCHEMBL31275675 0.86 RET (0.55) RETJAK2FLT3
SCHEMBL31275853 0.86 RET (0.57) RETJAK2FLT3
SCHEMBL28609291 0.86 RET (0.55) RETJAK2FLT3

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-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 WO disclosed