SCHEMBL25519630

SCHEMBL25519630

Cc1ccnc2cc(C(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ RET P07949 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ LTK P29376 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49

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
SCHEMBL17680958 0.87 CCR1 (0.44) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL12702866 0.85 SMN1; SMN2 (0.49) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL6672123 0.83 CCR1 (0.40) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL11967045 0.81 AURKA (0.39) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL8603000 0.80 TRPA1 (0.44) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL12545963 0.80 NR4A2 (0.56) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL20201897 0.80 AURKA (0.38) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL873159 0.76 HTR1A (0.58) CCR1CCR5CCR8LMNASMN1; SMN2
SCHEMBL14442426 0.74 IRAK4 (0.41) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL1619361 0.74 OGA (0.49) SMN1; SMN2NPC1SCN4ARAB9A

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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