SCHEMBL4748880

SCHEMBL4748880

CN1CCN(C(=O)c2ccc(-c3nc4c(I)c(Cl)cnc4[nH]3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
POLB P06746 2/20 0.46
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
MAP3K11 Q16584 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 3/20 0.42
ATR Q13535 2/20 0.41
KCNH2 Q12809 3/20 0.41
AXL P30530 2/20 0.41
HPGD P15428 1/20 0.41
AOC3 Q16853 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14041306 0.88 RIPK1 (0.48) RIPK1POLBPIK3CAMTORPIK3CG
SCHEMBL3078427 0.88 LRRK2 (0.48) RIPK1PIK3CAMTORPIK3CGATR
SCHEMBL14041305 0.88 RIPK1 (0.48) RIPK1POLBPIK3CAMTORPIK3CG
SCHEMBL4936226 0.84 RIPK1 (0.55) RIPK1POLBPIK3CAMTORPIK3CG
SCHEMBL14041303 0.83 JAK2 (0.47) RIPK1PIK3CAMTORPIK3CGKMT2A
SCHEMBL3087718 0.80 PARP1 (0.43) KMT2APARP1AXLHPGD
SCHEMBL3083372 0.79 RHEB (0.54) KMT2AHPGD
SCHEMBL4020886 0.79 POLB (0.54) RIPK1POLBPIK3CAMTORPIK3CG
SCHEMBL16243354 0.79 ALK (0.64)
Hydrochloric Acid SCHEMBL4936823 0.78 POLB (0.53) RIPK1POLBPIK3CAMTORPIK3CG

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
WO-2008121064-A1 NEW IMIDAZO[4,5-B]PYRIDINE-6-HALO-7-ARYL/HETEROARYL COMPOUNDS 705 ASTRAZENECA AB (SE) 2008-10-09 WO disclosed
WO-2008121064-A1 NEW IMIDAZO[4,5-B]PYRIDINE-6-HALO-7-ARYL/HETEROARYL COMPOUNDS 705 ASTRAZENECA AB (SE) 2008-10-09 WO disclosed