SCHEMBL5025666

SCHEMBL5025666

Cc1nc(N2CCC(CCO)CC2)c2c(C)c(C)n(-c3c(C)cc(Cl)cc3C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.54
TDP1 Q9NUW8 2/20 0.41
MAP2K7 O14733 1/20 0.37
SYK P43405 1/20 0.33
ENPP1 P22413 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL1637743 0.94 CRHR1 (0.53) CRHR1TDP1MAP2K7ENPP1CYP1A2
SCHEMBL1636368 0.92 CRHR1 (0.56) CRHR1TDP1MAP2K7
SCHEMBL1638219 0.90 CRHR1 (0.54) CRHR1TDP1MAP2K7SYKENPP1
SCHEMBL13890658 0.90 CRHR1 (0.54) CRHR1TDP1MAP2K7SYKENPP1
Hydrochloric Acid SCHEMBL5024141 0.89 CRHR1 (0.53) CRHR1TDP1MAP2K7SYKENPP1
SCHEMBL1636997 0.86 CRHR1 (0.62) CRHR1TDP1MAP2K7
SCHEMBL12534805 0.85 CRHR1 (0.53) CRHR1TDP1MAP2K7
SCHEMBL1636308 0.85 CRHR1 (0.53) CRHR1TDP1MAP2K7
SCHEMBL1637964 0.85 CRHR1 (0.55) CRHR1TDP1MAP2K7
SCHEMBL1638381 0.84 CRHR1 (0.53) CRHR1TDP1MAP2K7ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP claimed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP claimed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP claimed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO claimed
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed