SCHEMBL14724660

SCHEMBL14724660

Bc1ccc2nc(NCCN(C)C)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
EGFR P00533 1/20 0.42
MKNK1 Q9BUB5 3/20 0.41
DNM2 P50570 2/20 0.41
MKNK2 Q9HBH9 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
NCF1 P14598 2/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
SYK P43405 1/20 0.38
SLC2A1 P11166 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL14568526 0.84 BRAF (0.43) BRAFEGFRMKNK1DNM2MKNK2
SCHEMBL5505032 0.83 EGFR (0.53) BRAFEGFRMKNK1DNM2MKNK2
SCHEMBL3337103 0.79 FDPS (0.53) EGFRMKNK1DNM2MKNK2NCF1
SCHEMBL14724690 0.77 LCK (0.39) BRAFEGFR
SCHEMBL12633603 0.76 CYP2C19 (0.43) EGFRMKNK1DNM2HRH3CYP2C19
SCHEMBL5495588 0.75 FLT3 (0.47) EGFR
SCHEMBL14724559 0.75 LCK (0.44) BRAFMKNK1HRH3
SCHEMBL14724653 0.75 FGFR1 (0.42) BRAFEGFR
SCHEMBL14724662 0.73 LCK (0.53) EGFRMKNK1SYK
SCHEMBL29924736 0.70 CYP2C19 (0.49) EGFRMKNK1DNM2MKNK2HRH3

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-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed