SCHEMBL29438408

SCHEMBL29438408

COC(=O)c1cnc2[nH]cc(I)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.50
NEK1 Q96PY6 5/20 0.50
SGK1 O00141 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
BRD4 O60885 1/20 0.43
MAP2K1 Q02750 1/20 0.42
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
DYRK1A Q13627 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK8 P49336 1/20 0.39

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
SCHEMBL13306699 1.00 AXL (0.50) AXLNEK1SGK1CAMKK2BRD4
SCHEMBL29438406 1.00 AXL (0.50) AXLNEK1SGK1CAMKK2BRD4
SCHEMBL2181151 0.86 BTK (0.45) AXLNEK1SGK1CAMKK2BRD4
SCHEMBL31403510 0.83 AXL (0.48) AXLNEK1SGK1CAMKK2MAP2K1
SCHEMBL20292915 0.83 AXL (0.48) AXLNEK1SGK1CAMKK2BRD4
SCHEMBL20780050 0.82 AXL (0.47) AXLNEK1SGK1CAMKK2MAP2K1
SCHEMBL30504208 0.82 AXL (0.47) AXLNEK1SGK1CAMKK2MAP2K1
SCHEMBL19208834 0.79 MAPK1 (0.41) AXLNEK1SGK1CAMKK2MAPK1
SCHEMBL29900909 0.79 MAPK1 (0.41) AXLNEK1SGK1CAMKK2MAPK1
SCHEMBL22578339 0.78 MTNR1A (0.46) AXLNEK1SGK1CAMKK2MAP2K1

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-2022051569-A1 SUBSTITUTED 3-PIPERIDINYL-PYRROLO[2,3-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed