SCHEMBL28601268

SCHEMBL28601268

Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(Cc3ccc(Cl)nc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL31275960 1.00 RET (0.51) RETMEN1KMT2AATMJAK2
SCHEMBL31275897 0.89 RET (0.51) RETNTRK1
SCHEMBL28609265 0.89 RET (0.51) RETNTRK1
SCHEMBL28622793 0.87 RET (0.50) RETNTRK1
SCHEMBL28618714 0.87 RET (0.54) RET
SCHEMBL31275855 0.87 RET (0.54) RET
SCHEMBL31275271 0.84 RET (0.49) RET
SCHEMBL28618635 0.84 RET (0.49) RET
SCHEMBL24409390 0.84 RET (0.53) RET
SCHEMBL28601255 0.82 RET (0.63) RETJAK2

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-A Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2021-07-20 CN disclosed