SCHEMBL20071360

SCHEMBL20071360

Cc1ccc(C(O)C(=O)N2C3CC2CN(C(C)C)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HCRTR2 O43614 2/20 0.32
RET P07949 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A9 P48067 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
SCHEMBL20071359 0.88 ACACB (0.37) LMNARET
SCHEMBL20148618 0.88 ALDH1A1 (0.40) DPP4DPP8DPP7RET
SCHEMBL20148611 0.80 RET (0.37) ALOX5DPP4DPP8DPP7RET
SCHEMBL18704996 0.74 CHRM1 (0.49) LMNAGAA
SCHEMBL20148599 0.73 CHRNB2 (0.41)
SCHEMBL22030859 0.73 RET (0.43) DPP4DPP8DPP7TSHRRET
SCHEMBL20148612 0.71 RET (0.42) KEAP1NFE2L2GAARET
SCHEMBL20148617 0.71 RET (0.42) DPP4DPP8DPP7RET
SCHEMBL21158897 0.70 RET (0.40) DPP4DPP8DPP7RET
SCHEMBL20148707 0.70 TDP1 (0.44) RET

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-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed