SCHEMBL17857240

SCHEMBL17857240

C[C@@H]1CSCC12CNC2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL16984278 0.68
SCHEMBL576275 0.62
SCHEMBL12527900 0.62
SCHEMBL19353196 0.59
SCHEMBL12154439 0.57
SCHEMBL14559530 0.56 GRIN2D (0.31)
SCHEMBL15475983 0.55
SCHEMBL16984363 0.55
SCHEMBL24112699 0.55
SCHEMBL12021382 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601254-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-05-25 EP disclosed
EP-3359533-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-17 EP disclosed
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-09-28 US disclosed
EP-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 US disclosed
EP-3472147-B1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-06-17 EP disclosed
US-20200181132-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS NOVALIX (FR) 2020-06-11 US disclosed
EP-3233839-B1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-25 EP disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 US disclosed
US-10202387-B2 Heterocyclyl linked imidazopyridazine derivatives as PI3KB inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN-CILAG (FR) 2018-03-01 US disclosed
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN-CILAG (FR) 2018-03-01 US disclosed
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 US disclosed
WO-2017216293-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed
WO-2017060406-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-04-13 WO disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed
WO-2016097359-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed