SCHEMBL25230080

SCHEMBL25230080

Cc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1-c1nc2ccccn2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.49
▸ KCNH2 Q12809 4/20 0.49
▸ JAK2 O60674 5/20 0.39
▸ JAK1 P23458 5/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BTK Q06187 2/20 0.37
▸ CCNK O75909 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37

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
SCHEMBL30457822 0.88 MC4R (0.48) MC4RKCNH2BTK
SCHEMBL25278377 0.82 MC4R (0.59) MC4RKCNH2JAK2JAK3BTK
SCHEMBL25420312 0.81 MC4R (0.55) MC4RKCNH2POLBMAPTHSD17B10
SCHEMBL25422750 0.79 MC4R (0.67) MC4RKCNH2BTKCCNKCDK12
SCHEMBL30458645 0.78 MC4R (0.78) MC4RKCNH2JAK2JAK1JAK3
SCHEMBL31666908 0.78 MC4R (0.66) MC4RKCNH2JAK2JAK1JAK3
SCHEMBL25277092 0.78 MC4R (0.78) MC4RKCNH2JAK2JAK1JAK3
SCHEMBL25437281 0.76 MC4R (0.55) MC4RKCNH2POLBMAPTHSD17B10
SCHEMBL25225248 0.74 MC4R (0.46) MC4RKCNH2JAK3BTKCCNK
SCHEMBL25277175 0.74 MC4R (0.51) MC4RKCNH2

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-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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