SCHEMBL7905041

SCHEMBL7905041

Nc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.63
DYRK1A Q13627 4/20 0.60
CLK1 P49759 2/20 0.60
DYRK2 Q92630 2/20 0.60
DYRK1B Q9Y463 2/20 0.60
MAP3K11 Q16584 2/20 0.58
KIT P10721 5/20 0.57
TNIK Q9UKE5 2/20 0.50
AXL P30530 1/20 0.49
CDK8 P49336 1/20 0.49
PIK3CA P42336 4/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 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
SCHEMBL7906551 0.91 KIT (0.57) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL7908989 0.90 MAP3K11 (0.63) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL7907491 0.90 AXL (0.64) NTRK1MAP3K11KITTNIKAXL
SCHEMBL7910407 0.84 MAP3K11 (0.47) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL7899036 0.84 KIT (0.63) NTRK1DYRK1AMAP3K11KITPIK3CA
SCHEMBL7912925 0.83 MAP3K11 (0.51) NTRK1MAP3K11TNIKCYP3A4
SCHEMBL7906025 0.83 MAP3K11 (0.69) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL7910174 0.83 MAP3K11 (0.60) DYRK1AMAP3K11KITPIK3CA
SCHEMBL12068189 0.82 DYRK1A (0.56) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL7909336 0.82 CLK1 (0.65) NTRK1DYRK1ACLK1DYRK2DYRK1B

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