SCHEMBL24724312

SCHEMBL24724312

O=C1NCCn2nc3c(c21)CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)CC3

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
HSD11B1 P28845 1/20 0.42
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
PGR P06401 1/20 0.40
MTHFD2 P13995 1/20 0.39
PRLHR P49683 3/20 0.38
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL22746796 0.89 MTHFD2 (0.44) P2RX7HSD11B1PGRMTHFD2TMEM97
SCHEMBL24496466 0.83 P2RX7 (0.38) P2RX7HSD11B1ABL1BCRPGR
SCHEMBL29504784 0.83 HPGD (0.44) P2RX7HSD11B1PGRMTHFD2SIGMAR1
SCHEMBL22717861 0.83 HPGD (0.44) P2RX7HSD11B1PGRMTHFD2SIGMAR1
SCHEMBL9971920 0.76 HSD11B1 (0.53) P2RX7HSD11B1ABL1BCRPGR
SCHEMBL24775629 0.76 PRLHR (0.39) P2RX7HSD11B1ABL1BCRPGR
SCHEMBL22718069 0.75 HPGD (0.44) P2RX7HSD11B1PGRMTHFD2
SCHEMBL29504776 0.75 HPGD (0.44) P2RX7HSD11B1PGRMTHFD2
SCHEMBL29220558 0.73 SIGMAR1 (0.36) MTHFD2TMEM97SIGMAR1
SCHEMBL22718828 0.73 HPGD (0.48) P2RX7HSD11B1PGRMTHFD2

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-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed