SCHEMBL5095259

SCHEMBL5095259

[CH]C1CCN(c2cc(C)nc3c2c(C)cn3-c2c(Cl)cc(Br)cc2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMPD3 Q9NY59 1/20 0.30

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
SCHEMBL12593305 0.90 ALDH1A1 (0.36) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL12535188 0.88 CRHR1 (0.33) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL12593352 0.88 CRHR1 (0.36) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL1638150 0.87 CRHR1 (0.34) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL1638385 0.87 CRHR1 (0.33) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL1637194 0.85 CRHR1 (0.33) CRHR1KDM4EMEN1MAPK1HTT
SCHEMBL12535258 0.84 CRHR1 (0.33) CRHR1
SCHEMBL1638552 0.84 JAK2 (0.35) CRHR1
SCHEMBL1762558 0.83 FFAR4 (0.40)
SCHEMBL1638140 0.83 CYP11B2 (0.35) CRHR1KDM4EMEN1MAPK1HTT

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 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