SCHEMBL28170355

SCHEMBL28170355

Clc1cccc(-c2cnccn2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.51
IDO1 P14902 1/20 0.50
CNR2 P34972 4/20 0.46
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PIEZO1 Q92508 2/20 0.43
KCNA5 P22460 1/20 0.42
PTPN11 Q06124 1/20 0.42
TRPA1 O75762 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NUDT1 P36639 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL3948877 0.85 IDO1 (0.48) P2RX7IDO1GRM5PIEZO1NPY5R
SCHEMBL27411097 0.83 NPY5R (0.42) P2RX7KDM4EPIEZO1NPY5R
SCHEMBL29712840 0.82 P2RX7 (0.42) P2RX7IDO1CNR2GRM5KDM4E
SCHEMBL28627684 0.82 P2RX7 (0.42) P2RX7IDO1CNR2GRM5KDM4E
SCHEMBL24181568 0.82 P2RX7 (0.46) P2RX7CNR2PIEZO1
SCHEMBL30066169 0.82 P2RX7 (0.46) P2RX7CNR2PIEZO1
SCHEMBL6662455 0.82 ALOX5AP (0.42) P2RX7PIEZO1NPY5R
SCHEMBL31444423 0.82 ALOX5AP (0.45) P2RX7PIEZO1PTPN11
SCHEMBL2335710 0.82 PIEZO1 (0.42) P2RX7PIEZO1
SCHEMBL7486893 0.78 PIEZO1 (0.47) P2RX7KDM4EPIEZO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN claimed
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN disclosed
CN-109983001-A 2, 5-disubstituted 3-methylpyrazine and 2,5, 6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors 锐新医药公司 2019-07-05 CN disclosed
CN-107011273-A The method of one kind synthesis amine of 6 iodine 3 (2,3 dichlorophenyl) pyrazine 2 无锡捷化医药科技有限公司 2017-08-04 CN disclosed
CN-107011273-A The method of one kind synthesis amine of 6 iodine 3 (2,3 dichlorophenyl) pyrazine 2 无锡捷化医药科技有限公司 2017-08-04 CN disclosed
CN-107011273-A The method of one kind synthesis amine of 6 iodine 3 (2,3 dichlorophenyl) pyrazine 2 无锡捷化医药科技有限公司 2017-08-04 CN disclosed