SCHEMBL25818996

SCHEMBL25818996

COc1cc2nn(C)cc2cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NSD2 O96028 1/20 0.42
NQO2 P16083 1/20 0.35
JAK3 P52333 1/20 0.35
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NOTUM Q6P988 2/20 0.32
PDE10A Q9Y233 1/20 0.32
PMP22 Q01453 2/20 0.32
LMNA P02545 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32

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
SCHEMBL22946630 0.85 ALDH1A1 (0.47) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL25600581 0.81 MAPT (0.50) KDM4EMAPTALDH1A1NSD2NOTUM
SCHEMBL24163749 0.81 MAPT (0.43) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL16432372 0.79 AXL (0.42) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL24033484 0.79 ALDH1A1 (0.50) KDM4EMAPTALDH1A1NSD2NQO2
Hydrochloric Acid SCHEMBL31600805 0.78 ALDH1A1 (0.49) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL29318293 0.77 MAPT (0.40) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL29003789 0.77 KDM4E (0.40) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL23643801 0.76 ALDH1A1 (0.42) KDM4EMAPTALDH1A1NSD2NQO2
SCHEMBL29109591 0.76 PGK1 (0.44) KDM4EMAPTALDH1A1NSD2NQO2

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-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed