SCHEMBL6023741

SCHEMBL6023741

NC1CCN(c2cccc3ccc(-n4cnc5cc(-c6ccc(C(=O)O)cc6)ccc54)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.57
LCK P06239 2/20 0.57
GAK O14976 1/20 0.57
RIPK2 O43353 1/20 0.57
ULK1 O75385 1/20 0.57
STK10 O94804 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
LATS1 O95835 1/20 0.57
PAK4 O96013 1/20 0.57
NTRK1 P04629 1/20 0.57
CDK1 P06493 1/20 0.57
APRT P07741 1/20 0.57
RET P07949 1/20 0.57
PDGFRB P09619 1/20 0.57
PHKG2 P15735 1/20 0.57
NQO2 P16083 1/20 0.57
PDGFRA P16234 1/20 0.57
FECH P22830 1/20 0.57
MARK3 P27448 1/20 0.57

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
SCHEMBL5766585 0.93 GAK (0.60) CDK2LCKGAKRIPK2ULK1
SCHEMBL5765910 0.91 LCK (0.61) CDK2LCKGAKRIPK2ULK1
SCHEMBL5765925 0.90 LCK (0.58) CDK2LCKGAKRIPK2ULK1
SCHEMBL5765860 0.89 LCK (0.60) CDK2LCKGAKRIPK2ULK1
SCHEMBL5766285 0.88 IRAK4 (0.58) CDK2LCKGAKRIPK2ULK1
SCHEMBL5765638 0.87 LCK (0.60) CDK2LCKGAKRIPK2ULK1
SCHEMBL5765813 0.86 IRAK4 (0.61) CDK2LCKGAKRIPK2ULK1
SCHEMBL5767100 0.85 IRAK4 (0.66) CDK2LCKGAKRIPK2ULK1
SCHEMBL3189583 0.83 IRAK4 (0.63) CDK2LCKGAKRIPK2ULK1
SCHEMBL5766588 0.83 IRAK4 (0.66) CDK2LCKGAKRIPK2ULK1

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
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed