SCHEMBL481626

SCHEMBL481626

Cc1nccn1C(=O)OC1CCC(n2c(=O)[nH]c3ncc(Br)nc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
MAP3K11 Q16584 4/20 0.40
PRKDC P78527 1/20 0.35
EEF2K O00418 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
JAK2 O60674 5/20 0.32
JAK1 P23458 4/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
JAK3 P52333 3/20 0.32
HCAR1 Q9BXC0 1/20 0.32
PIK3CA P42336 2/20 0.31
CALCRL Q16602 1/20 0.31

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
SCHEMBL481624 0.81 MAP3K11 (0.41) MTORMAP3K11PRKDCEEF2KJAK2
SCHEMBL481625 0.81 MAP3K11 (0.41) MTORMAP3K11PRKDCEEF2KJAK2
SCHEMBL482194 0.79 MAP3K11 (0.49) MTORMAP3K11PRKDCEEF2KALDH1A1
SCHEMBL482193 0.79 MAP3K11 (0.49) MTORMAP3K11PRKDCEEF2KALDH1A1
SCHEMBL976654 0.79 MAP3K11 (0.53) MTORMAP3K11EEF2KALDH1A1TSHR
SCHEMBL481716 0.76 MAP3K11 (0.51) MTORMAP3K11PRKDCEEF2KJAK2
SCHEMBL481717 0.76 MAP3K11 (0.51) MTORMAP3K11PRKDCEEF2KJAK2
SCHEMBL481861 0.74 MTOR (0.67) MTORMAP3K11EEF2KJAK2JAK1
SCHEMBL481860 0.74 MTOR (0.67) MTORMAP3K11EEF2KJAK2JAK1
SCHEMBL977455 0.73 MTOR (0.61) MTORMAP3K11ALDH1A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed