SCHEMBL27316389

SCHEMBL27316389

CC(C)c1cc(-c2cnn(C)c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.51
▸ AURKA O14965 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 3/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PI4KA P42356 1/20 0.38

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
SCHEMBL24732304 0.73 DYRK1A (0.51) DYRK1AAURKATTKAURKBINCENP
SCHEMBL24037298 0.71 ALDH1A1 (0.43) DYRK1AALDH1A1HPGDMAPTLMNA
SCHEMBL26066981 0.70 PIK3CD (0.38) AURKAAURKBINCENPPIK3CDPIK3CA
SCHEMBL19832066 0.70 ALDH1A1 (0.31) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL17540831 0.69 MAPT (0.44) DYRK1AALDH1A1HPGDMAPTLMNA
SCHEMBL19531807 0.69 DYRK1A (0.43) DYRK1AAURKATTKAURKBINCENP
SCHEMBL12919977 0.68 GPR55 (0.50) AURKBPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15044974 0.68 GPR55 (0.43) AURKATTKAURKBINCENPMAPT
SCHEMBL13086621 0.68 MKNK1 (0.49) DYRK1AAURKATTKAURKBINCENP
SCHEMBL17806578 0.68 KCNH2 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 — — WO disclosed
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