SCHEMBL28029979

SCHEMBL28029979

BrN1C=CN(c2ccncc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.40
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
EED O75530 1/20 0.35
BCHE P06276 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
MAOA P21397 1/20 0.32
USP2 O75604 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2B Q92831 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
SCHEMBL27902596 0.80 MAPT (0.37) MAPTNPSR1LMNA
SCHEMBL27975060 0.77 MAPT (0.41) MAPTNPSR1LMNATDP1L3MBTL1
SCHEMBL16429033 0.76 MAPT (0.50) CHKAADRB2NCF1PLD1MAPT
SCHEMBL27837744 0.74 CHKA (0.40) CHKAADRB2NCF1PLD1MAPT
SCHEMBL11442754 0.74 GAA (0.42) CHKAADRB2NCF1PLD1MAPT
SCHEMBL27800626 0.69 CHKA (0.36) CHKAADRB2NCF1PLD1MAPT
SCHEMBL6876616 0.67 DHFR (0.36) CHKAADRB2NCF1PLD1TDP1
SCHEMBL23035473 0.66 CHKA (0.64) CHKAADRB2NCF1PLD1MAPT
SCHEMBL4708569 0.65 CCNC (0.40) MAPTNPSR1
SCHEMBL29507810 0.64 CHKA (0.48) CHKAADRB2NCF1PLD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822679-A Imidazopyridine derivatives HOFFMANN LA ROCHE 2015-08-05 CN disclosed