SCHEMBL5025812

SCHEMBL5025812

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.37
CRHR1 P34998 4/20 0.35
FPR3 P25089 2/20 0.35
TSPO P30536 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
ENPP1 P22413 1/20 0.34
SYK P43405 1/20 0.34
RORC P51449 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1637058 0.92 MAP2K7 (0.45) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1638394 0.91 MAP2K7 (0.36) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1636814 0.90 MAP2K7 (0.37) MAP2K7CRHR1FPR3TSPOTMEM97
Hydrochloric Acid SCHEMBL1638286 0.89 MAP2K7 (0.37) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL14277046 0.88 MAP2K7 (0.36) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1636109 0.86 JAK2 (0.39) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1638146 0.86 CRHR1 (0.44) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1638332 0.85 MAP2K7 (0.37) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL12534808 0.85 CRHR1 (0.35) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1638253 0.84 MAP2K7 (0.44) MAP2K7CRHR1RORC

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