SCHEMBL25242524

SCHEMBL25242524

COc1cccc(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ EGFR P00533 6/20 0.63
▸ ERBB3 P21860 5/20 0.63
▸ ABCG2 Q9UNQ0 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ ABCB1 P08183 1/20 0.59
▸ ABCC1 P33527 1/20 0.59
▸ TNNI3K Q59H18 1/20 0.56
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53

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
SCHEMBL1321858 0.79 MAPT (0.64) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL25284382 0.79 HPGD (0.51) KMT2AMEN1NPC1EGFRERBB3
SCHEMBL25293421 0.79 GAA (0.53) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL25242554 0.78 POLB (0.47) KMT2AMEN1EGFRERBB3TP53
SCHEMBL20355108 0.78 MAPT (0.66) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL20355235 0.78 RAB9A (0.72) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL25288885 0.77 POLB (0.48) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL855961 0.76 EGFR (0.77) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL25244650 0.75 TYK2 (0.59) MAPTPOLB
SCHEMBL25288507 0.75 POLB (0.46) KMT2AMEN1NPC1RAB9AEGFR

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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