SCHEMBL24072268

SCHEMBL24072268

Cc1cc(NC(C)C)ccc1C(=O)Nc1ncc(N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.47
▸ ADORA2A P29274 2/20 0.42
▸ STAT3 P40763 2/20 0.39
▸ LCK P06239 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ EIF2S1 P05198 1/20 0.37
▸ EIF2AK3 Q9NZJ5 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 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
SCHEMBL24072284 0.87 ADORA2A (0.44) ADORA2ASTAT3ALDH1A1NPC1MITF
SCHEMBL25063464 0.84 MAPK14 (0.43) MAPK14ADORA2ASTAT3LCKALDH1A1
SCHEMBL24072282 0.83 CCNE1 (0.41) MAPK14STAT3ALDH1A1NPC1MITF
SCHEMBL24073698 0.83 STAT3 (0.52) STAT3ALDH1A1NPC1MITFLMNA
SCHEMBL25063046 0.82 STAT3 (0.62) ADORA2ASTAT3ALDH1A1NPC1LMNA
SCHEMBL24073701 0.81 POLQ (0.47) STAT3ALDH1A1NPC1MITFLMNA
SCHEMBL24072346 0.79 STAT3 (0.41) ADORA2ASTAT3ALDH1A1NPC1MITF
SCHEMBL24072273 0.79 TP53 (0.48) ALDH1A1NPC1MITFLMNARAB9A
SCHEMBL24072271 0.79 ITK (0.43) STAT3ALDH1A1NPC1MITFLMNA
SCHEMBL24074132 0.77 ALDH1A1 (0.54) ADORA2ASTAT3ALDH1A1NPC1RAB9A

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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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