SCHEMBL22641671

SCHEMBL22641671

COc1cc(-c2cnn(C)c2)ccc1SC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ FYN P06241 2/20 0.47
▸ LRRK2 Q5S007 2/20 0.46
▸ CCNA2 P20248 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.42

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
SCHEMBL13354922 0.83 FYN (0.59) TTKERN1FYNLRRK2CCNA2
SCHEMBL15889905 0.80 ERN1 (0.51) TTKERN1FYNLRRK2CCNA2
SCHEMBL26833391 0.79 ERN1 (0.47) TTKERN1FYNLRRK2CCNA2
SCHEMBL12492042 0.79 ALDH1A1 (0.62) TTKERN1FYNLRRK2CCNA2
SCHEMBL16911398 0.77 PDGFRB (0.49) TTKERN1FYNLRRK2CCNA2
SCHEMBL15889368 0.77 LRRK2 (0.48) TTKERN1FYNLRRK2CCNA2
SCHEMBL20150208 0.76 PIK3CD (0.49) TTKLRRK2
SCHEMBL26123734 0.76 PIK3CD (0.49) TTKERN1FYNLRRK2CCNA2
SCHEMBL16911390 0.76 LRRK2 (0.53) TTKERN1FYNLRRK2CCNA2
SCHEMBL24731504 0.73 PLAU (0.46) TTKERN1FYNLRRK2CCNA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 — — EP disclosed
EP-3736271-A1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2020-11-11 — — EP disclosed
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