SCHEMBL19736997

SCHEMBL19736997

Cc1nc2c(COC3CCCCO3)cc(C3=CCOCC3)cn2c1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PIK3C2B O00750 1/20 0.30
PIK3CG P48736 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
SCHEMBL19736996 0.91 PIK3CD (0.30) PIK3CD
SCHEMBL19736995 0.84 SUV39H2 (0.32) PIK3CDSUV39H2KDM4C
SCHEMBL19736845 0.82 PIK3CD (0.51) PIK3CDPIK3C2BPIK3CG
SCHEMBL19736987 0.64 KDM4C (0.35) L3MBTL1KDM4C
SCHEMBL23662550 0.61 KDM4C (0.37) L3MBTL1KDM4C
SCHEMBL14027736 0.60 KDM4C (0.38) L3MBTL1KDM4C
SCHEMBL18355699 0.60 TACR1 (0.46) KDM4C
SCHEMBL17658749 0.59 KDM4C (0.35) L3MBTL1KDM4C
SCHEMBL17649571 0.59 KDM4C (0.33) L3MBTL1KDM4C
SCHEMBL18355473 0.58 L3MBTL1 (0.38) L3MBTL1KDM4C

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-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed