SCHEMBL30173079

SCHEMBL30173079

CN(C)CCc1cc(C2CCOCC2)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.42
MAPK1 P28482 16/20 0.41
DHFR P00374 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL30700989 0.86 MAPK1 (0.44) HTR1DMAPK1
SCHEMBL16684568 0.76 MAPK1 (0.42) MAPK1
SCHEMBL529398 0.75 TAAR1 (0.35)
SCHEMBL30173034 0.72 MAPK1 (0.42) MAPK1DHFR
SCHEMBL16678931 0.71 MAPK1 (0.44) MAPK1DHFR
SCHEMBL21355171 0.70 NOS3 (0.38) MAPK1DHFR
SCHEMBL20242152 0.68 MAPK1 (0.39) MAPK1DHFR
SCHEMBL24738195 0.68 KDM4E (0.34) MAPK1
SCHEMBL21356631 0.67 KDM4E (0.38) MAPK1
SCHEMBL29792909 0.67 KDM4E (0.38) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380565-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-06-12 EP disclosed
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed
WO-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed