SCHEMBL29640685

SCHEMBL29640685

CCC(C)Oc1cc(N)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
SLC2A1 P11166 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33

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
SCHEMBL24584512 1.00 MCHR1 (0.42) MCHR1SLC2A1NOS3NOS1NOS2
SCHEMBL22234714 0.83 ALOX5AP (0.38) MCHR1NOS3NOS1NOS2ALOX5AP
SCHEMBL15527772 0.78 LMNA (0.41) NOS3NOS1NOS2GABRPGABRD
SCHEMBL20557567 0.77 ALDH1A1 (0.45) NOS3NOS1NOS2
SCHEMBL22834443 0.76 TRPC6 (0.45) NOS3NOS1NOS2ALOX5APFEN1
SCHEMBL22259430 0.76 CNR2 (0.34) NOS3NOS1NOS2ALOX5APFEN1
Bromide SCHEMBL19950848 0.76 LMNA (0.40) NOS3NOS1NOS2GABRPGABRD
SCHEMBL22834465 0.76 PDE4A (0.35) NOS3NOS1NOS2ALOX5APFEN1
SCHEMBL18050648 0.74 MET (0.49) MCHR1SLC2A1CCNA2CDK2CCNA1
SCHEMBL24584511 0.74 GABRP (0.42) MCHR1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867781-A Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-10 CN disclosed
WO-2022140425-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2022-06-30 WO disclosed