SCHEMBL31378619

SCHEMBL31378619

Cn1c(-c2ncc(-c3cc4ccccc4c(=O)[nH]3)cn2)cncc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.56
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.39
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
HPGDS O60760 1/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
APAF1 O14727 2/20 0.34
CDC25B P30305 2/20 0.34
TDP2 O95551 1/20 0.34
CASP6 P55212 1/20 0.34
RCE1 Q9Y256 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL16625344 0.72 TNKS (1.00) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL31378592 0.71 NPC1 (0.33) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16625347 0.70 TNKS (1.00) TNKS
SCHEMBL18918389 0.70 TNKS (0.59) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL22201443 0.69 ALDH1A1 (0.59) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL828493 0.68 TNKS (0.63) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29639160 0.68 TNKS (0.63) TNKSKDM4ENPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6648959 0.68 ALDH1A1 (0.61) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28924699 0.66 TNKS (0.65) TNKSKDM4ENPC1ALDH1A1RAB9A
SCHEMBL30161077 0.66 TNKS (0.65) TNKSKDM4ENPC1ALDH1A1RAB9A

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-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed