SCHEMBL19999345

SCHEMBL19999345

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 1.00
SRC P12931 15/20 1.00
TEK Q02763 12/20 1.00
FYN P06241 4/20 1.00
LIMK1 P53667 3/20 0.89
PLK4 O00444 2/20 0.89
AURKA O14965 2/20 0.89
PAK4 O96013 2/20 0.89
CHEK2 O96017 2/20 0.89
EGFR P00533 2/20 0.89
ERBB2 P04626 2/20 0.89
NTRK1 P04629 2/20 0.89
INSR P06213 2/20 0.89
CSF1R P07333 2/20 0.89
LYN P07948 2/20 0.89
FLT1 P17948 2/20 0.89
NEK2 P51955 2/20 0.89
PAK1 Q13153 2/20 0.89
STK3 Q13188 2/20 0.89
ROCK1 Q13464 2/20 0.89

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
SCHEMBL31061271 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL6221049 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL5803074 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL29457687 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL16752208 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL30521863 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL14106773 1.00 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL6435493 0.94 LCK (0.89) LCKSRCTEKFYNLIMK1
SCHEMBL29562158 0.94 LCK (1.00) LCKSRCTEKFYNLIMK1
SCHEMBL29584810 0.94 LCK (1.00) LCKSRCTEKFYNLIMK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 EP disclosed
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed