SCHEMBL25244450

SCHEMBL25244450

COc1cc(-c2cnn(C)c2C)c(C)nc1Nc1cc(Nc2cc(C)ncn2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.41
▸ LRRK2 Q5S007 1/20 0.36
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ SLC34A1 Q06495 5/20 0.33
▸ EGFR P00533 3/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL25239477 0.83 TTK (0.48) TTKLRRK2CCNA2CDK2
SCHEMBL25286994 0.79 TYK2 (0.31) —
SCHEMBL25292442 0.78 TTK (0.41) TTKLRRK2CCNA2CDK2
SCHEMBL25285749 0.73 TYK2 (0.36) TTKLRRK2SLC34A1
SCHEMBL25286881 0.71 TTK (0.57) TTKLRRK2CCNA2CDK2
SCHEMBL25242862 0.69 TTK (0.41) TTKLRRK2SLC34A1
SCHEMBL25241283 0.67 PIK3C3 (0.34) CD274
SCHEMBL25283616 0.66 PIK3C3 (0.34) —
SCHEMBL25245407 0.63 GRM5 (0.41) EGFRMEN1KMT2A
SCHEMBL13321937 0.59 MAPK10 (0.61) CDK2EGFRKMT2A

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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