SCHEMBL26485807

SCHEMBL26485807

C#CC1(Nc2nc(=O)n(-c3cccnc3)c3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 16/20 0.48
▸ PRMT5 O14744 2/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL26485809 0.87 MAT2A (0.49) MAT2ACYP11B1CYP11B2
SCHEMBL31026808 0.87 MAT2A (0.49) MAT2ACYP11B1CYP11B2
SCHEMBL26489377 0.86 MAT2A (0.46) MAT2APRMT5CYP3A4
SCHEMBL26485646 0.86 MAT2A (0.39) MAT2APRMT5CYP3A4TRPV1
SCHEMBL30420090 0.86 MAT2A (0.67) MAT2APRMT5CYP3A4
SCHEMBL26484971 0.86 MAT2A (0.67) MAT2APRMT5CYP3A4
SCHEMBL26485808 0.83 MAT2A (0.50) MAT2APRMT5
SCHEMBL26488687 0.83 MAT2A (0.39) MAT2APRMT5CYP3A4PIK3CD
SCHEMBL30420483 0.83 MAT2A (0.39) MAT2APRMT5CYP3A4PIK3CD
SCHEMBL30419923 0.82 MAT2A (0.54) MAT2APRMT5CYP3A4PIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066283-A1 METHIONINE ADENOSYLTRANSFERASE 2A (MAT2A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-04-27 — — WO disclosed
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