SCHEMBL24567217

SCHEMBL24567217

CC(C)(C)C(=O)Nc1cc(C2CC2)nn(C2=COCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ BRPF1 P55201 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ KCNJ6 P48051 3/20 0.31
▸ KCNJ3 P48549 3/20 0.31
▸ CRACR2A Q9BSW2 2/20 0.31
▸ KCNJ5 P48544 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL24567215 0.84 KDM4E (0.35) BRPF1GAA
SCHEMBL24007637 0.75 ADORA1 (0.46) TMIGD3ADORA1BRPF1GAACYP3A4
SCHEMBL24007919 0.72 TMIGD3 (0.43) TMIGD3ADORA1BRPF1GAACYP3A4
SCHEMBL24567218 0.72 TMIGD3 (0.37) TMIGD3ADORA1BRPF1GAACYP3A4
SCHEMBL24567226 0.72 TMIGD3 (0.39) TMIGD3ADORA1GAACYP3A4CYP2C19
SCHEMBL24567211 0.72 TMIGD3 (0.39) TMIGD3ADORA1GAACYP3A4CYP2C19
SCHEMBL24008156 0.66 TMIGD3 (0.35) TMIGD3ADORA1GAACYP3A4CYP2C19
SCHEMBL24565775 0.63 KCNJ6 (0.41) KCNJ6KCNJ3CRACR2AKCNJ5
SCHEMBL24567209 0.60 KDM4C (0.36) GAAKCNJ6KCNJ3KCNJ5
SCHEMBL16253026 0.58 MAPK14 (0.49) TMIGD3ADORA1

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-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
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