SCHEMBL21167711

SCHEMBL21167711

COc1ccc(Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
MAPT P10636 1/20 0.41
APP P05067 3/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPC1 O15118 3/20 0.38
SYK P43405 3/20 0.38
PDE10A Q9Y233 1/20 0.38
EGFR P00533 2/20 0.38
POLB P06746 1/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL21167623 0.89 KDR (0.42) KDRMAPTAPPDYRK1ACLK4
SCHEMBL21167653 0.86 BACE1 (0.42) KDRMAPTAPPCLK1CLK2
SCHEMBL22475911 0.83 MEN1 (0.47) KDRMAPTAPPCLK1CLK2
SCHEMBL21167639 0.83 MAPT (0.42) KDRMAPTAPPCLK1CLK2
SCHEMBL21167713 0.82 GRM5 (0.43) KDRNPC1SYKRAB9AHDAC3
SCHEMBL21167729 0.82 IGF1R (0.42) KDRMAPTAPPNPC1SYK
SCHEMBL22475908 0.81 KDR (0.42) KDRMAPTAPPCLK1CLK2
SCHEMBL21167661 0.81 NPC1 (0.45) KDRMAPTCLK1CLK2DYRK1A
SCHEMBL21167710 0.81 CLK1 (0.37) KDRMAPTCLK1CLK2DYRK1A
SCHEMBL21167596 0.81 MAPT (0.43) KDRMAPTNPC1SYKEGFR

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