SCHEMBL29607759

SCHEMBL29607759

CC(C)(C)OC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.64
DDB1 Q16531 1/20 0.61
CRBN Q96SW2 1/20 0.61
MAPT P10636 2/20 0.51
NAMPT P43490 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL15875559 1.00 ENPP2 (0.64) ENPP2DDB1CRBNMAPTNAMPT
SCHEMBL29608800 0.91 ENPP2 (0.76) ENPP2DDB1CRBNMAPTMAPK1
SCHEMBL15874833 0.91 ENPP2 (0.76) ENPP2DDB1CRBNMAPTMAPK1
SCHEMBL30626024 0.91 ENPP2 (0.76) ENPP2DDB1CRBNMAPTMAPK1
SCHEMBL19001278 0.90 ENPP2 (0.68) ENPP2DDB1CRBNMAPK1
SCHEMBL18818629 0.89 DDB1 (0.68) ENPP2DDB1CRBNMAPTMAPK1
SCHEMBL18819063 0.86 DDB1 (0.62) ENPP2DDB1CRBNMAPTMAPK1
SCHEMBL18525131 0.84 ENPP2 (0.69) ENPP2MAPK1
SCHEMBL18818336 0.84 DDB1 (0.63) DDB1CRBNMAPTMAPK1
SCHEMBL18536680 0.83 ENPP2 (0.59) ENPP2DDB1CRBNMAPK1

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
CN-114423759-B Fused heteroaryl derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-10-20 CN disclosed
CN-114423759-A Condensed heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-04-29 CN disclosed