SCHEMBL2465378

SCHEMBL2465378

Cc1[nH]c2ncnn2c(=O)c1Cc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 2/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ENPP1 P22413 7/20 0.37
NR3C1 P04150 1/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL2455657 0.86 ENPP1 (0.50) ALKBH3CCR2ENPP1NR3C1
SCHEMBL12858718 0.85 KDM4E (0.48) ALKBH3POLBMAPTHPGDL3MBTL1
SCHEMBL2460016 0.83 CCR2 (0.36) ALKBH3POLBMAPTCCR2USP2
SCHEMBL2460011 0.81 CCR2 (0.43) POLBMAPTCCR2HPGDTSHR
SCHEMBL2456787 0.80 CCR2 (0.43) ALKBH3POLBMAPTCCR2USP2
SCHEMBL2464506 0.75 MBOAT4 (0.40) ALKBH3PDE2A
SCHEMBL20074286 0.74 ALDH1A1 (0.46) MAPTHPGDTSHRKDM4E
SCHEMBL2459450 0.74 ENPP1 (0.47) ALKBH3CCR2ENPP1
SCHEMBL2457283 0.73 ENPP1 (0.46) ALKBH3CCR2ENPP1NR3C1
SCHEMBL2461260 0.72 CCR2 (0.48) ALKBH3CCR2ENPP1NR3C1

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
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO claimed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed