SCHEMBL12066036

SCHEMBL12066036

Cn1cc(-c2ccc3[nH]ccc3c2)c2cc(-c3ccc(CN4CCNCC4)cc3)cnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 17/20 0.70
▸ TNIK Q9UKE5 4/20 0.61
▸ IKBKB O14920 2/20 0.61
▸ CHUK O15111 2/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ INSR P06213 2/20 0.61
▸ CDK2 P24941 2/20 0.61
▸ FLT3 P36888 2/20 0.61
▸ LRRK2 Q5S007 2/20 0.61
▸ SGK1 O00141 1/20 0.61
▸ AURKA O14965 1/20 0.61
▸ PRKAB2 O43741 1/20 0.61
▸ ROCK2 O75116 1/20 0.61
▸ NTRK1 P04629 1/20 0.61
▸ LCK P06239 1/20 0.61
▸ CDK1 P06493 1/20 0.61
▸ IGF1R P08069 1/20 0.61
▸ MET P08581 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ SRC P12931 1/20 0.61

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
SCHEMBL20634830 0.87 MAP3K11 (0.67) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL7514195 0.84 MAP3K11 (0.60) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15154858 0.82 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL25153339 0.79 MAP3K11 (0.56) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15774047 0.78 MAP3K11 (0.49) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL20635943 0.78 MAP3K11 (0.53) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL25153340 0.77 MAP3K11 (0.53) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL25153320 0.76 MAP3K11 (0.55) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529951 0.76 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529950 0.76 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1

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-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 — — WO disclosed
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