SCHEMBL7912925

SCHEMBL7912925

CN(C)Cc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 9/20 0.51
TNIK Q9UKE5 10/20 0.49
MAP4K1 Q92918 2/20 0.48
SGK1 O00141 2/20 0.47
IKBKB O14920 2/20 0.47
CHUK O15111 2/20 0.47
ABL1 P00519 2/20 0.47
INSR P06213 2/20 0.47
CDK2 P24941 2/20 0.47
FLT3 P36888 2/20 0.47
AURKA O14965 1/20 0.47
PRKAB2 O43741 1/20 0.47
ROCK2 O75116 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
CDK1 P06493 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
CYP3A4 P08684 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL7907491 0.84 AXL (0.64) MAP3K11TNIKSGK1NTRK1
SCHEMBL7906025 0.84 MAP3K11 (0.69) MAP3K11TNIKMAP4K1NTRK1MAPK8
SCHEMBL7907723 0.83 MAP3K11 (0.73) MAP3K11TNIKMAP4K1SGK1IKBKB
SCHEMBL7905041 0.83 NTRK1 (0.63) MAP3K11TNIKNTRK1CYP3A4
SCHEMBL12066047 0.82 MAP3K11 (0.67) MAP3K11TNIKMAP4K1SGK1IKBKB
SCHEMBL7910407 0.81 MAP3K11 (0.47) MAP3K11TNIKMAP4K1NTRK1
SCHEMBL7906551 0.81 KIT (0.57) MAP3K11TNIKCDK2NTRK1CYP3A4
SCHEMBL7908989 0.80 MAP3K11 (0.63) MAP3K11TNIKNTRK1CYP3A4LRRK2
SCHEMBL7910174 0.80 MAP3K11 (0.60) MAP3K11MAP4K1
SCHEMBL7908973 0.79 CLK1 (0.66) MAP3K11TNIKMAP4K1SGK1NTRK1

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-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed