SCHEMBL25241012

SCHEMBL25241012

COc1cc(-c2nc(C(F)(F)F)n(C)n2)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.41
▸ PSEN2 P49810 11/20 0.41
▸ APH1B Q8WW43 11/20 0.41
▸ NCSTN Q92542 11/20 0.41
▸ APH1A Q96BI3 11/20 0.41
▸ PSENEN Q9NZ42 11/20 0.41
▸ LRRK2 Q5S007 6/20 0.39
▸ TTK P33981 3/20 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
SCHEMBL25243633 0.82 TYK2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25246327 0.82 TYK2 (0.52) —
SCHEMBL25241385 0.80 TTK (0.42) TTK
SCHEMBL25242828 0.80 LRRK2 (0.47) LRRK2TTK
SCHEMBL25239490 0.79 LRRK2 (0.52) LRRK2TTK
SCHEMBL25286881 0.78 TTK (0.57) LRRK2TTK
SCHEMBL25287907 0.78 TTK (0.42) TTK
SCHEMBL25289693 0.78 S1PR1 (0.39) TTK
SCHEMBL25283961 0.76 EGFR (0.48) TTK
SCHEMBL25284382 0.75 HPGD (0.51) —

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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