SCHEMBL30376196

SCHEMBL30376196

c1cc2cc(-c3ccc(N4CCNCC4)nc3)cnc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.66
RIPK1 Q13546 4/20 0.52
IL2 P60568 1/20 0.52
MAP4K1 Q92918 1/20 0.52
CDK8 P49336 5/20 0.51
AXL P30530 2/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
GPR119 Q8TDV5 1/20 0.47
ROCK2 O75116 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
PDPK1 O15530 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47

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
Hydrochloric Acid SCHEMBL30313452 0.99 MAP3K11 (0.65) MAP3K11RIPK1IL2MAP4K1CDK8
SCHEMBL29889598 0.86 DYRK1A (0.56) MAP3K11RIPK1IL2MAP4K1CDK8
SCHEMBL30376973 0.85 RIPK1 (0.57) MAP3K11RIPK1IL2MAP4K1CDK8
SCHEMBL29652339 0.84 CDK8 (0.54) MAP3K11RIPK1CDK8AXLPIK3CD
SCHEMBL38662467 0.83 MAP3K11 (0.61) MAP3K11IL2MAP4K1KCNH2CACNA1C
SCHEMBL723387 0.80 MAP3K11 (1.00) MAP3K11IL2MAP4K1KCNH2ROCK2
SCHEMBL4831501 0.76 CDK8 (0.81) RIPK1CDK8AXLPIK3CDPIK3CA
SCHEMBL15244897 0.76 KCNH2 (0.56) MAP3K11KCNH2CACNA1CASIC3GPR119
SCHEMBL15244966 0.76 KCNH2 (0.56) MAP3K11KCNH2CACNA1CASIC3GPR119
SCHEMBL29888709 0.75 IL2 (0.51) MAP3K11IL2MAP4K1KCNH2MAP4K4

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
EP-4168407-A1 BRAF DEGRADERS C4 Therapeutics, Inc. (US) 2023-04-26 EP disclosed