SCHEMBL21167729

SCHEMBL21167729

COc1cc(Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
NPC1 O15118 1/20 0.40
KDR P35968 5/20 0.39
BRAF P15056 1/20 0.38
SYK P43405 1/20 0.36
PTK2 Q05397 1/20 0.36
TGFBR1 P36897 1/20 0.36
APP P05067 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC3 O15379 1/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 1/20 0.35
ROCK1 Q13464 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL22475999 0.89 IGF1R (0.41) IGF1RNPC1KDRBRAFSYK
SCHEMBL21167525 0.88 BRAF (0.41) IGF1RNPC1KDRBRAFPTK2
SCHEMBL21167549 0.87 NPC1 (0.42) IGF1RNPC1KDRSYKTGFBR1
SCHEMBL21167658 0.85 NPC1 (0.45) NPC1KDRSYKHDAC6HDAC3
SCHEMBL21167623 0.84 KDR (0.42) IGF1RNPC1KDRSYKAPP
SCHEMBL21167653 0.83 BACE1 (0.42) IGF1RNPC1KDRBRAFAPP
SCHEMBL21167570 0.83 KDR (0.41) IGF1RNPC1KDRSYKHDAC6
SCHEMBL21167711 0.82 KDR (0.42) NPC1KDRSYKAPPHDAC3
SCHEMBL21167731 0.81 NPC1 (0.43) NPC1KDRSYKHDAC6HDAC3
SCHEMBL21167661 0.81 NPC1 (0.45) NPC1KDRSYKHDAC6HDAC3

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-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed