SCHEMBL31684530

SCHEMBL31684530

Nc1nc2c(s1)CC(N)(c1ccc(C(F)(F)F)nc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TRPV4 Q9HBA0 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL31684574 0.83 EPHX2 (0.37) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684516 0.80 APOBEC3A (0.33) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684760 0.79 APOBEC3A (0.38) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684696 0.78 APOBEC3A (0.36) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684511 0.78 SLC6A3 (0.40) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684495 0.77 APOBEC3A (0.36) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684634 0.76 APOBEC3A (0.38) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684700 0.76 APOBEC3A (0.40) APOBEC3AAPOBEC3GLMNAPOLBGAA
SCHEMBL31684611 0.76 MAPT (0.36) PIK3CDPIK3CAPI4KAPI4KBAPOBEC3A
Hydrochloric Acid SCHEMBL31684543 0.75 BACE1 (0.40) APOBEC3AAPOBEC3GLMNAPOLBGAA

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-4617263-A1 ARYL-CONTAINING AMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2025-09-17 EP disclosed