SCHEMBL30739072

SCHEMBL30739072

CC(C)(C#N)c1nc(C(N)=O)cn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ADRA1D P25100 4/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
P2RX7 Q99572 1/20 0.38
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL16862950 0.76 BRD4 (0.59) BRD4CCNCCDK8ADRA1DPARP1
SCHEMBL30739134 0.76 BRD4 (0.48) BRD4CCNCCDK8ADRA1DPARP1
SCHEMBL9256717 0.72 BRD4 (0.52) BRD4CCNCCDK8ADRA1DPARP1
SCHEMBL30739179 0.71 PARP1 (0.51) BRD4ADRA1DL3MBTL1PARP1P2RX7
SCHEMBL31591086 0.66 GRM2 (0.39) ALDH1A1
SCHEMBL19924913 0.65 BRD4 (1.00) BRD4
SCHEMBL4734075 0.65 BRD4 (0.57) BRD4P2RX7ALDH1A1NOTUM
SCHEMBL4024290 0.64 SMN1; SMN2 (0.47) BRD4L3MBTL1ALDH1A1NOTUM
SCHEMBL6800202 0.63 ADRA1D (0.41) BRD4CCNCCDK8ADRA1DPARP1
SCHEMBL17166094 0.62 TSHR (0.46) BRD4ADRA1DL3MBTL1P2RX7NOTUM

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-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 EP disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 WO disclosed