SCHEMBL31712880

SCHEMBL31712880

NC(=O)c1cc2c3c(cnc2cn1)CCO3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
LCK P06239 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
MAP3K14 Q99558 2/20 0.33
SIRT6 Q8N6T7 2/20 0.33
PRF1 P14222 1/20 0.32
CHEK1 O14757 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
MC3R P41968 1/20 0.30
PDE4B Q07343 1/20 0.30
NNMT P40261 1/20 0.30

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
SCHEMBL31712857 0.79 TSHR (0.42) PARP1PI4K2ACHEK1TSHRPDE4B
SCHEMBL31712899 0.75 SIRT6 (0.37) LCKSIRT6CHEK1ADORA3TSHR
SCHEMBL29875709 0.74 LCK (0.35) LCKSIRT6PRF1CHEK1ADORA3
SCHEMBL31712846 0.68 LCK (0.40) LCKSIRT6ADORA3TSHRMC4R
SCHEMBL24468332 0.68 IKBKE (0.33) PARP1
SCHEMBL18248727 0.66 NOS3 (0.52) LCKSIRT6ADORA3TSHRMC4R
SCHEMBL19641430 0.65 SIRT6 (0.40) LCKSIRT6PRF1CHEK1ADORA3
SCHEMBL5299145 0.65 TSHR (0.49) LCKMAP3K14SIRT6CHEK1ADORA3
SCHEMBL30036680 0.65 SIRT6 (0.40) LCKSIRT6PRF1CHEK1ADORA3
SCHEMBL16447402 0.65 LCK (0.40) LCKPI4K2ASIRT6ADORA3TSHR

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-4251624-B1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC (US) 2025-10-29 EP claimed