SCHEMBL22130331

SCHEMBL22130331

[c]1ccc(-c2cnc3nccn3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.70
USP30 Q70CQ3 1/20 0.36
GRM5 P41594 7/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
GRK5 P34947 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
ACVR1 Q04771 1/20 0.31
PTK2 Q05397 1/20 0.31
TYRO3 Q06418 1/20 0.31
MAP4K2 Q12851 1/20 0.31
IKBKE Q14164 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
SCHEMBL360651 0.82 DYRK1A (0.74) DYRK1AGRM5KDM4EALDH1A1HPGD
SCHEMBL22130319 0.79 DYRK1A (0.70) DYRK1AUSP30GRM5KDM4EALDH1A1
SCHEMBL12403385 0.76 DYRK1A (0.64) DYRK1AKDM4EALDH1A1HPGDGLA
SCHEMBL30639453 0.75 DYRK1A (0.63) DYRK1AUSP30GRM5RETCLK4
SCHEMBL1829687 0.72 DYRK1A (0.59) DYRK1AUSP30GRM5
SCHEMBL30639477 0.72 DYRK1A (0.64) DYRK1AUSP30GRM5MAPT
SCHEMBL21436086 0.72 DYRK1A (0.59) DYRK1AGRM5KDM4EALDH1A1GLA
SCHEMBL20208549 0.72 DYRK1A (0.59) DYRK1AGRM5KDM4EALDH1A1NAMPT
SCHEMBL24706350 0.70 DYRK1A (0.51) DYRK1AUSP30GRM5KDM4EALDH1A1
Cyanide SCHEMBL22130120 0.69 DYRK1A (0.55) DYRK1AUSP30RAB9AKMT2A

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
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO disclosed