SCHEMBL7906293

SCHEMBL7906293

CN1CCN(c2cc(-c3cnc4[nH]cc(-c5ccc6c(c5)CCN6)c4c3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.55
IL2 P60568 4/20 0.55
MAP3K11 Q16584 6/20 0.50
TNIK Q9UKE5 9/20 0.48
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
SGK1 O00141 1/20 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

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
SCHEMBL26175663 0.89 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIKIKBKB
SCHEMBL26178169 0.88 MAP4K1 (0.53) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL30399294 0.85 MAP4K1 (0.73) MAP4K1IL2MAP3K11TNIKIKBKB
SCHEMBL26175624 0.85 MAP4K1 (0.73) MAP4K1IL2MAP3K11TNIKIKBKB
SCHEMBL26175671 0.84 MAP4K1 (0.58) MAP4K1IL2MAP3K11TNIKIKBKB
SCHEMBL26175268 0.83 TNIK (0.62) MAP4K1IL2TNIK
SCHEMBL26178157 0.83 MAP4K1 (0.54) MAP4K1IL2MAP3K11TNIKLRRK2
SCHEMBL7907723 0.82 MAP3K11 (0.73) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL26175668 0.82 MAP4K1 (0.52) MAP4K1IL2MAP3K11TNIKIKBKB
SCHEMBL7906295 0.82 MAP4K1 (0.66) MAP4K1IL2MAP3K11TNIKNTRK1

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