SCHEMBL25242828

SCHEMBL25242828

COc1cc(C(F)(F)F)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.47
▸ THRB P10828 1/20 0.44
▸ GAK O14976 4/20 0.43
▸ SCN9A Q15858 3/20 0.41
▸ TTK P33981 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAP3K12 Q12852 1/20 0.39
▸ EGFR P00533 4/20 0.38
▸ ERBB3 P21860 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ EPHB6 O15197 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ EPHA1 P21709 1/20 0.36
▸ EPHA8 P29322 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
SCHEMBL25283961 0.85 EGFR (0.48) TTKPOLBGAAEGFRERBB3
SCHEMBL25284382 0.84 HPGD (0.51) GAAEGFRERBB3ABCG2ABCB1
SCHEMBL25238174 0.83 NPC1 (0.44) TTKPOLBGAAEGFRERBB3
SCHEMBL25293421 0.81 GAA (0.53) POLBGAAEGFRERBB3HPGD
SCHEMBL25241012 0.80 PSEN1 (0.41) LRRK2TTK
SCHEMBL25241385 0.79 TTK (0.42) TTKEGFRERBB3ABCG2ABCB1
SCHEMBL25287175 0.77 POLB (0.49) THRBPOLBGAAABL1AKR1C3
SCHEMBL25288626 0.77 TYK2 (0.45) THRBSCN9APOLBGAAEGFR
SCHEMBL25242554 0.76 POLB (0.47) POLBGAAEGFRERBB3
SCHEMBL25245407 0.74 GRM5 (0.41) POLBGAAEGFRERBB3ABCG2

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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