SCHEMBL25858474

SCHEMBL25858474

CC(C)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.36
LIPG Q9Y5X9 10/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR2 Q92731 1/20 0.35
HIF1A Q16665 4/20 0.34
EGFR P00533 2/20 0.34
SNCA P37840 1/20 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
SCHEMBL19966320 0.89 HIF1A (0.33) LPLLIPGESR2HIF1A
SCHEMBL23520385 0.84 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL25858447 0.81 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL18332596 0.76 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL19204154 0.75 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL23084651 0.75 CA1 (0.40) LPLLIPGCA1CA2CA9
SCHEMBL2787680 0.75 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL14532177 0.75 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL25065697 0.74 HIF1A (0.36) LPLLIPGHIF1AEGFR
SCHEMBL8515351 0.73 HIF1A (0.38) LPLLIPGCA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed