SCHEMBL25289693

SCHEMBL25289693

COc1cc(-c2noc(C)n2)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TTK P33981 3/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL25241385 0.83 TTK (0.42) TTK
SCHEMBL25243633 0.81 TYK2 (0.47) TTK
SCHEMBL25239536 0.80 TYK2 (0.47) MAPT
SCHEMBL25284382 0.80 HPGD (0.51) HTTMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL25283961 0.79 EGFR (0.48) TTKMAPTTP53HSD17B10
SCHEMBL25238174 0.79 NPC1 (0.44) TTKMAPTKDM4ENPC1
SCHEMBL25246078 0.78 TTK (0.37) TTK
SCHEMBL25239490 0.78 LRRK2 (0.52) TTK
SCHEMBL25287907 0.78 TTK (0.42) TTK
SCHEMBL25293421 0.77 GAA (0.53) HTTMAPTTP53NPC1RAB9A

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-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP claimed
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP disclosed
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