SCHEMBL9451673

SCHEMBL9451673

COc1nc(C(=O)C(C)(C)C)nc2[nH]cc(I)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.35
CHEK1 O14757 1/20 0.32
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PIM1 P11309 2/20 0.31
DYRK2 Q92630 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
TRPA1 O75762 1/20 0.31
CDK9 P50750 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL9451552 0.81 CHEK1 (0.46) CHEK1
SCHEMBL15348646 0.73 DYRK1A (0.39) DYRK1ACHEK1LRRK2PIM1DYRK2
SCHEMBL9451612 0.72 PDPK1 (0.41) DYRK1ALRRK2
SCHEMBL25158209 0.72 CHEK1 (0.41) DYRK1ACHEK1LRRK2PIM1DYRK2
SCHEMBL30349391 0.72 CHEK1 (0.41) DYRK1ACHEK1LRRK2PIM1DYRK2
SCHEMBL9258260 0.63 ADORA1 (0.40) CHEK1
SCHEMBL9451697 0.63 KDM4E (0.30)
SCHEMBL31507834 0.62 CHEK1 (0.44) CHEK1
SCHEMBL30974980 0.62 NR1I3 (0.52) DYRK1ACLK2PIM1AXL
SCHEMBL31347233 0.61 KDM4E (0.46) CHEK1

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
EP-0567223-A1 Glutamic acid derivatives as antineoplastic agents ELI LILLY AND COMPANY (US) 1993-10-27 EP disclosed
US-5196424-A Antitumor ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed