SCHEMBL28050358

SCHEMBL28050358

CCN1CCN(Cc2cccc(-c3cnc4[nH]cc(-c5ccc(C(N)=O)cc5)c4c3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 7/20 0.72
CAMKK2 Q96RR4 1/20 0.61
AXL P30530 2/20 0.59
CDC7 O00311 1/20 0.59
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59
MAPK13 O15264 1/20 0.59
PDPK1 O15530 1/20 0.59
DYRK3 O43781 1/20 0.59
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
PRKD3 O94806 1/20 0.59
PAK4 O96013 1/20 0.59
CHEK2 O96017 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
NTRK1 P04629 1/20 0.59
INSR P06213 1/20 0.59
LCK P06239 1/20 0.59

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
SCHEMBL723009 0.93 MAP3K11 (0.83) MAP3K11CAMKK2AXLCDC7PLK4
SCHEMBL28050402 0.91 MAP3K11 (0.86) MAP3K11ABL1INSRCDK2FLT3
SCHEMBL28033149 0.87 MAP3K11 (0.55) MAP3K11CAMKK2AXLMAPK1TNIK
SCHEMBL722116 0.84 MAP3K11 (1.00) MAP3K11AURKAROCK2ABL1NTRK1
SCHEMBL723895 0.84 MAP3K11 (1.00) MAP3K11AURKAROCK2ABL1NTRK1
SCHEMBL721840 0.82 MAP3K11 (0.83) MAP3K11ABL1INSRCDK2FLT3
SCHEMBL15154839 0.81 MAP3K11 (0.85) MAP3K11AURKAROCK2ABL1NTRK1
SCHEMBL28050406 0.81 TNIK (0.73) MAP3K11ABL1INSRCDK2MAPK1
SCHEMBL12067580 0.80 TNIK (0.72) MAP3K11AURKAROCK2ABL1NTRK1
SCHEMBL28033172 0.78 TNIK (0.70) MAP3K11AURKAROCK2ABL1NTRK1

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
CN-103153994-B Bicyclic heteroaryl kinase inhibitor and using method UNIVERSITY OF ROCHESTER (US) 2016-02-10 CN disclosed