SCHEMBL27836331

SCHEMBL27836331

CC(C)n1nc(C2CC2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.47
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMB5 P28074 1/20 0.38
KCNT1 Q5JUK3 4/20 0.36
PSMD14 O00487 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
HCK P08631 1/20 0.33
FGR P09769 1/20 0.33
RPS6KB1 P23443 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL30893561 0.89 RET (0.40) RETKDM4EKMT2APSMB8PSMB9
SCHEMBL4072006 0.79 PSMB8 (0.45) RETKDM4EPSMB8PSMB9PSMB5
SCHEMBL28158441 0.77 SRC (0.34) RETPSMB8PSMB9PSMB5KCNT1
SCHEMBL28157869 0.76 SRC (0.34) RETPSMB8PSMB9PSMB5KCNT1
SCHEMBL19091627 0.75 KDM4E (0.40) RETKDM4EKMT2APSMB8PSMB9
SCHEMBL15283440 0.75 NPC1 (0.41) RETKDM4EKMT2ACYP1A2HCK
SCHEMBL30281173 0.75 RET (0.42) RET
SCHEMBL29221245 0.73 RET (0.37) RETHCKKDR
SCHEMBL24007926 0.73 RET (0.40) RETKDM4EKMT2ACYP1A2HCK
SCHEMBL6887721 0.73 MAP3K12 (0.40) RETKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159548-A Amide compounds useful in therapy PFIZER LTD 2011-08-17 CN claimed
CN-102159548-A Amide compounds useful in therapy PFIZER LTD 2011-08-17 CN disclosed