SCHEMBL30107368

SCHEMBL30107368

CNC(=O)C(C)(C)n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.37
CYP26A1 O43174 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
MAP4K4 O95819 1/20 0.31
ELANE P08246 1/20 0.31
AR P10275 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
SCHEMBL26668132 0.78 KCNN4 (0.34) ADRB3CYP26A1KCNN4ELANEAR
SCHEMBL10473438 0.78 ELANE (0.33) ADRB3KCNN4KCNA3ELANE
SCHEMBL3095800 0.78 LMNA (0.47) ADRB3KCNN4KCNA3ELANE
SCHEMBL11264498 0.76
SCHEMBL11264511 0.76
SCHEMBL26668633 0.76 NOS1 (0.38) ADRB3KCNN4KCNA3ELANE
SCHEMBL16886284 0.76 KCNN4 (0.34) ADRB3KCNN4KCNA3ELANE
SCHEMBL16422823 0.74 ELANE (0.32) ADRB3KCNN4KCNA3ELANE
SCHEMBL30107133 0.73 KMT2A (0.36) ADRB3ELANE
SCHEMBL16861392 0.72 NOS1 (0.34) ADRB3

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