SCHEMBL31684809

SCHEMBL31684809

O=c1[nH]c2cc(Br)ccc2n2nccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
PDE5A O76074 1/20 0.44
PDE9A O76083 1/20 0.44
METAP2 P50579 1/20 0.38
MAPT P10636 1/20 0.36
AURKA O14965 2/20 0.35
CDK5 Q00535 2/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL29212747 1.00 TP53 (0.54) TP53PDE5APDE9AMETAP2MAPT
SCHEMBL24098518 0.81 DAO (0.47) TP53
SCHEMBL29078234 0.81 DAO (0.47) TP53MAPTCHEK1
SCHEMBL30576717 0.81 DAO (0.47) TP53MAPTCHEK1
SCHEMBL30902525 0.81 PARP1 (0.41) TP53PDE5APDE9AAURKAPRKD3
SCHEMBL30896193 0.79 PDE9A (0.36) TP53PDE5APDE9ACDK5CDK5R1
SCHEMBL31386723 0.78 CDK5 (0.40) TP53PDE5APDE9AMAPTAURKA
SCHEMBL29203506 0.78 PARP1 (0.46) MAPTAURKA
SCHEMBL30273161 0.78 PARP1 (0.39) PDE5APDE9AAURKAPRKD3MAP4K4
SCHEMBL30273139 0.78 PARP1 (0.41) PDE9AAURKACDK5PRKD3MAP4K4

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
EP-4617273-A1 FUSED TRICYCLIC PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2025-09-17 EP disclosed