SCHEMBL4757724

SCHEMBL4757724

Brc1cnc2[nH]c(-c3ccc(N4CCNCC4)cc3)nc2c1N1CCN(CC2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.49
FLT3 P36888 1/20 0.40
KCNH2 Q12809 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
TNK2 Q07912 1/20 0.39
IGF1R P08069 1/20 0.38
CDK4 P11802 2/20 0.36
CDK6 Q00534 1/20 0.36
CDK2 P24941 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL210621 0.85 AURKA (0.69) AURKAIKBKETBK1CDK2
SCHEMBL209434 0.83 AURKA (0.58) AURKA
SCHEMBL211237 0.82 AURKA (0.58) AURKAFLT3KCNH2
SCHEMBL208448 0.81 AURKA (0.74) AURKAIKBKETBK1CDK2
SCHEMBL13985671 0.80 AURKA (0.48) AURKAFLT3KCNH2
SCHEMBL13985585 0.80 AURKA (0.42) AURKAFLT3KCNH2
SCHEMBL4757493 0.79 AURKA (0.54) AURKAFLT3KCNH2
SCHEMBL13985465 0.79 AURKA (0.51) AURKAFLT3KCNH2
SCHEMBL13985733 0.79 AURKA (0.77) AURKAFLT3KCNH2
SCHEMBL211070 0.79 AURKA (0.56) AURKAFLT3KCNH2

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
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed