SCHEMBL29940302

SCHEMBL29940302

Nc1ncc(C2CC2)nc1Br

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.39
ATR Q13535 1/20 0.38
MAPK1 P28482 8/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 2/20 0.33
USP7 Q93009 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL16680447 1.00 MAPKAPK2 (0.39) MAPKAPK2ATRMAPK1HTTKMT2A
SCHEMBL16679950 0.91 MAPK1 (0.36) MAPKAPK2ATRMAPK1HTTKMT2A
SCHEMBL16679951 0.91 MAPK1 (0.36) MAPKAPK2ATRMAPK1HTTKMT2A
SCHEMBL19053651 0.91 MAPKAPK2 (0.35) MAPKAPK2ATRMAPK1
SCHEMBL17187742 0.91 ATR (0.47) MAPKAPK2ATRMAPK1ADORA2AADORA1
SCHEMBL16679534 0.88 MAPK1 (0.46) MAPK1
SCHEMBL16679616 0.88 HRH4 (0.46) MAPKAPK2ATRKMT2AUSP7
SCHEMBL29419391 0.88 MAPK1 (0.46) MAPK1
SCHEMBL16680538 0.87 MAPK1 (0.41) MAPKAPK2ATRMAPK1
SCHEMBL16680537 0.87 MAPK1 (0.41) MAPKAPK2ATRMAPK1

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
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed