SCHEMBL24072286

SCHEMBL24072286

CCCCNc1ccc(C(=O)Nc2ncc(N)s2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.41
▸ F2R P25116 2/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ PLK1 P53350 3/20 0.40
▸ LCK P06239 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ STAT3 P40763 2/20 0.37
▸ AXL P30530 3/20 0.37
▸ TYRO3 Q06418 3/20 0.37
▸ MERTK Q12866 3/20 0.37
▸ KIT P10721 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ HCAR3 P49019 1/20 0.36

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
SCHEMBL24073630 0.87 ALDH1A1 (0.41) F2RALDH1A1NPC1MITFLMNA
SCHEMBL24073700 0.86 MAPK14 (0.42) ADORA2AF2RMAPK14PLK1LCK
SCHEMBL27136866 0.85 PLK1 (0.41) ADORA2AF2RMAPK14PLK1LCK
SCHEMBL24072486 0.85 ALDH1A1 (0.43) ADORA2AF2RPLK1ALDH1A1STAT3
SCHEMBL30142841 0.84 STAT3 (0.58) ADORA2AALDH1A1STAT3NPC1LMNA
SCHEMBL25063073 0.84 STAT3 (0.58) ADORA2AALDH1A1STAT3NPC1LMNA
SCHEMBL24072284 0.83 ADORA2A (0.44) ADORA2AALDH1A1STAT3KITNPC1
SCHEMBL25142388 0.82 RAB9A (0.46) ADORA2AALDH1A1NPC1MITFLMNA
SCHEMBL25142407 0.81 RAB9A (0.45) ADORA2AALDH1A1NPC1MITFLMNA
SCHEMBL27134564 0.81 ALDH1A1 (0.48) ALDH1A1NPC1MITFLMNARAB9A

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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