SCHEMBL12829259

SCHEMBL12829259

Nc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.66
DYRK1A Q13627 5/20 0.66
CLK1 P49759 3/20 0.66
DYRK2 Q92630 2/20 0.66
DYRK1B Q9Y463 2/20 0.66
MAP3K11 Q16584 1/20 0.63
KIT P10721 4/20 0.59
GSK3B P49841 1/20 0.55
AXL P30530 1/20 0.53
CDK8 P49336 1/20 0.53
TNIK Q9UKE5 1/20 0.53
BRD4 O60885 1/20 0.50
SGK1 O00141 1/20 0.49
PIK3CA P42336 2/20 0.48

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
SCHEMBL8320542 0.84 DYRK1A (0.59) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL20408723 0.84 KIT (0.59) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL1800807 0.84 AXL (0.73) NTRK1MAP3K11KITGSK3BAXL
SCHEMBL8320227 0.81 KIT (0.67) DYRK1AMAP3K11KITPIK3CA
SCHEMBL3764839 0.81 AXL (0.83) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL8320268 0.81 KIT (0.61) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL1487612 0.81 MAPK8 (0.67) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL25971496 0.80 BRD4 (0.47) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL18576768 0.80 NTRK1 (1.00) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL722564 0.78 MAP3K11 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed