SCHEMBL8320029

SCHEMBL8320029

COc1ccc(N2CCN(C(C)=O)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.55
RORC P51449 4/20 0.52
CASP6 P55212 1/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TGFBR1 P36897 1/20 0.50
ACVR1 Q04771 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
SCHEMBL1911851 0.84 TGFBR1 (0.54) ALKCASP6GFERMAPTLMNA
SCHEMBL19002643 0.84 GFER (0.53) ALKCASP6GFERMAPTLMNA
SCHEMBL12312214 0.83 CASP6 (0.59) ALKCASP6GFERMAPTLMNA
SCHEMBL31195734 0.83 ALK (0.55) ALKMAPTLMNAALDH1A1
SCHEMBL4281721 0.81 QDPR (0.59) ALKCASP6GFERMAPTLMNA
SCHEMBL1911902 0.81 TGFBR1 (0.54) ALKCASP6GFERMAPTLMNA
SCHEMBL5262415 0.81 GFER (0.55) RORCCASP6GFERMAPTKDM4E
SCHEMBL8324354 0.81 LMNA (0.44) ALKGFERMAPTLMNAKDM4E
SCHEMBL3315825 0.81 CASP6 (0.49) ALKRORCCASP6GFERMAPT
SCHEMBL12856227 0.81 MAPT (0.49) ALKCASP6GFERMAPTLMNA

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-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed