SCHEMBL6796136

SCHEMBL6796136

Cc1ccc(CN2CCCC2)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.58
MAPK1 P28482 4/20 0.52
TDP1 Q9NUW8 4/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50

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
SCHEMBL30596580 0.98 GRIN2B (0.57) GRIN2BMAPK1TDP1LMNAHTT
SCHEMBL8054943 0.98 GRIN2B (0.57) GRIN2BMAPK1TDP1LMNAHTT
SCHEMBL8806006 0.85 MAPK1 (0.50) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL11960915 0.85 KMT2A (0.64) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL15417767 0.85 TDP1 (0.56) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL10702086 0.84 MAPK1 (0.52) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL22542165 0.84 LMNA (0.63) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL5540745 0.84 GRIN2B (0.50) GRIN2BMAPK1TDP1ALDH1A1LMNA
SCHEMBL13983575 0.84 CYP2A13 (0.65) MAPK1TDP1ALDH1A1LMNAHTT
SCHEMBL30596554 0.83 POLB (0.57) MAPK1ALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475263-B1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed