SCHEMBL25463283

SCHEMBL25463283

Cc1cc(N)cc2c1C(=O)N(C)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PIK3CG P48736 5/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
KMT2A Q03164 1/20 0.33
ATAD2 Q6PL18 1/20 0.31
BRPF1 P55201 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24649692 0.81 HTR2A (0.43) PARP1PIK3CGKMT2AHTR2AHTR2C
SCHEMBL29209082 0.79 BRD4 (0.42) PARP1PIK3CGPIK3CDPIK3R1KMT2A
SCHEMBL21608292 0.77 PARP1 (0.40) PARP1KMT2AATAD2
SCHEMBL29313927 0.76 HTR2A (0.37) PARP1PIK3CGPIK3CDPIK3R1HTR2A
SCHEMBL12714874 0.74 PARP1 (0.63) PARP1KMT2AHTR2AHTR2CHTR2B
SCHEMBL26667753 0.71 PARP1 (0.37) PARP1
SCHEMBL31239530 0.70 FLT3 (0.33) PARP1
SCHEMBL12641837 0.70 PARP1 (0.41) PARP1KMT2A
SCHEMBL866520 0.69 CYP1A2 (0.34) HSD17B10
SCHEMBL30605804 0.69 CYP1A2 (0.34) HSD17B10

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
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed