SCHEMBL28050402

SCHEMBL28050402

CCN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc(C(N)=O)cc5)c4c3)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 10/20 0.86
TNIK Q9UKE5 9/20 0.64
MAP4K1 Q92918 1/20 0.59
MAP3K9 P80192 1/20 0.58
IKBKB O14920 1/20 0.58
CHUK O15111 1/20 0.58
ABL1 P00519 1/20 0.58
INSR P06213 1/20 0.58
CDK2 P24941 1/20 0.58
FLT3 P36888 1/20 0.58

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
SCHEMBL723895 0.93 MAP3K11 (1.00) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL722116 0.93 MAP3K11 (1.00) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL28050358 0.91 MAP3K11 (0.72) MAP3K11TNIKMAP3K9ABL1INSR
SCHEMBL721840 0.91 MAP3K11 (0.83) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL28050406 0.90 TNIK (0.73) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL28033172 0.87 TNIK (0.70) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL720661 0.87 MAP3K11 (0.79) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL28032700 0.86 MAP3K11 (0.65) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL28822401 0.85 MAP3K11 (0.64) MAP3K11TNIKMAP4K1MAP3K9IKBKB
SCHEMBL15154839 0.84 MAP3K11 (0.85) MAP3K11TNIKMAP4K1MAP3K9IKBKB

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