SCHEMBL30107166

SCHEMBL30107166

COc1ccc(Cn2cncc2[C@@H]2C[C@H]2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.51
CYP11B2 P19099 8/20 0.51
MAP4K1 Q92918 1/20 0.50
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.39
GABRA5 P31644 1/20 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
SCHEMBL20519343 1.00 CYP11B1 (0.51) CYP11B1CYP11B2MAP4K1HSP90AA1HSP90AB1
SCHEMBL21334716 0.90 CYP11B1 (0.53) CYP11B1CYP11B2MAP4K1HSP90AA1HSP90AB1
SCHEMBL20519101 0.90 CYP11B1 (0.53) CYP11B1CYP11B2MAP4K1HSP90AA1HSP90AB1
SCHEMBL29302494 0.75 FFAR4 (0.49) KMT2A
SCHEMBL20519697 0.75 MAP4K1 (0.67) CYP11B1CYP11B2MAP4K1
SCHEMBL21334717 0.75 MAP4K1 (0.67) CYP11B1CYP11B2MAP4K1
SCHEMBL30107343 0.71 CYP11B2 (0.53) CYP11B1CYP11B2HSP90AA1HSP90AB1CYP19A1
SCHEMBL23535858 0.71 CYP11B2 (0.58) CYP11B1CYP11B2HSP90AA1HSP90AB1CYP19A1
SCHEMBL20524347 0.70 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1CYP19A1
SCHEMBL20519574 0.70 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1CYP19A1

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
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed