SCHEMBL5028599

SCHEMBL5028599

CSc1cc(C(C)C)ccc1-n1cc(C)c2c(N3CCC(CCO)CC3)nc(C)nc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.36
MAP2K7 O14733 1/20 0.36
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
ENPP1 P22413 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
SYK P43405 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
SCHEMBL1637947 0.93 MAP2K7 (0.42) CRHR1MAP2K7SYK
SCHEMBL1637864 0.89 CRHR1 (0.37) CRHR1MAP2K7
SCHEMBL1762875 0.88 FFAR4 (0.36) CRHR1MAP2K7
SCHEMBL1637958 0.87 CRHR1 (0.37) CRHR1ITGB2ICAM1ITGAL
SCHEMBL1637038 0.82 CRHR1 (0.37) CRHR1
SCHEMBL1637005 0.81 CRHR1 (0.48) CRHR1MAP2K7
SCHEMBL1637346 0.80 CRHR1 (0.38) CRHR1MAP2K7
SCHEMBL1637305 0.78 CRHR1 (0.37) CRHR1MAP2K7
SCHEMBL12534741 0.78 CRHR1 (0.37) CRHR1MAP2K7
SCHEMBL1762684 0.78 PTGDR2 (0.36) CRHR1

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 3 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 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