SCHEMBL7907491

SCHEMBL7907491

c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.64
CDK8 P49336 3/20 0.64
TNIK Q9UKE5 2/20 0.64
KIT P10721 1/20 0.57
MAP3K11 Q16584 1/20 0.57
SGK1 O00141 4/20 0.56
CAMKK2 Q96RR4 2/20 0.56
NTRK1 P04629 1/20 0.52

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
SCHEMBL7905041 0.90 NTRK1 (0.63) AXLCDK8TNIKKITMAP3K11
SCHEMBL7906551 0.87 KIT (0.57) AXLCDK8TNIKKITMAP3K11
SCHEMBL7908989 0.86 MAP3K11 (0.63) AXLCDK8TNIKKITMAP3K11
SCHEMBL7910407 0.85 MAP3K11 (0.47) AXLCDK8TNIKKITMAP3K11
SCHEMBL26177531 0.85 PARP10 (0.62) AXLCDK8TNIKKITMAP3K11
SCHEMBL7912925 0.84 MAP3K11 (0.51) TNIKMAP3K11SGK1NTRK1
SCHEMBL7906025 0.84 MAP3K11 (0.69) AXLCDK8TNIKKITMAP3K11
SCHEMBL7910174 0.84 MAP3K11 (0.60) KITMAP3K11
SCHEMBL12068189 0.83 DYRK1A (0.56) AXLCDK8TNIKKITMAP3K11
SCHEMBL7909336 0.83 CLK1 (0.65) TNIKMAP3K11NTRK1

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