SCHEMBL31359458

SCHEMBL31359458

O=c1[nH]c2n[nH]cc2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 11/20 0.55
▸ AURKA O14965 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TNKS O95271 2/20 0.48
▸ PARP15 Q460N3 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ GPR3 P46089 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ AURKB Q96GD4 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL26907188 0.76 ALDH1A1 (0.52) PARP1AURKAKDM4EMEN1LMNA
Oxypurinol SCHEMBL2017937 0.75 GDA (0.41) PARP1KDM4EMEN1LMNABLM
SCHEMBL3081936 0.73 PARP1 (0.71) PARP1AURKAKDM4EMEN1LMNA
SCHEMBL2411554 0.72 PARP1 (0.62) PARP1AURKAMEN1KMT2AAURKB
SCHEMBL6531057 0.71 PARP1 (1.00) PARP1AURKAKDM4EMEN1LMNA
SCHEMBL6046876 0.70 PARP1 (0.57) PARP1KDM4EMEN1LMNABLM
SCHEMBL30539933 0.67 PARP1 (0.57) PARP1KDM4EMEN1LMNABLM
SCHEMBL14324145 0.67 PARP1 (0.57) PARP1KDM4EMEN1LMNABLM
SCHEMBL17293 0.66 PARP1 (1.00) PARP1KDM4EMEN1LMNABLM
SCHEMBL31326568 0.66 PARP1 (1.00) PARP1KDM4EMEN1LMNABLM

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
CN-119654321-A PI3K alpha inhibitors 突触活化疗法股份有限公司 2025-03-18 — — CN disclosed
Send feedback