SCHEMBL25414580

SCHEMBL25414580

Nc1n[nH]c2c1c(CNc1ccccc1)nc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
HRH3 Q9Y5N1 1/20 0.39
DHFR P00374 1/20 0.39
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
ACVR1 Q04771 1/20 0.38
TNK2 Q07912 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL18264402 0.77 EGFR (0.47) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL18264145 0.73 CHEK1 (0.49) APPMAP4K4CSF1RFGFR1PDGFRA
SCHEMBL18264175 0.72 KDM1A (0.52) MAP4K4CSF1RFGFR1PDGFRALTK
SCHEMBL21840862 0.69 SLC2A1 (0.55) KDRKDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL18264168 0.69 MEN1 (0.52) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL18264156 0.69 NPY5R (0.50) APPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18264161 0.69 ABCG2 (0.51) APPKDRCLK4KDM4ENPC1
SCHEMBL18264174 0.69 GAA (0.52) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL18264159 0.69 MAPT (0.52) APPKDRKDM4ENPC1RAB9A
SCHEMBL18264403 0.67 BTK (0.57) MAP4K4PDGFRALTKKDRMAPK8

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-3876933-B1 NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF UNIV CHANG GUNG SCIENCE & TECHNOLOGY (TW) 2023-09-13 EP disclosed
CN-113038949-B Neutrophil inflammation inhibitor and application thereof 长庚学校长庚科技大学 2023-07-14 CN disclosed
CN-113038949-A Neutrophilic leukocyte inflammation inhibitor and use thereof 长庚学校财团法人长庚科技大学 2021-06-25 CN disclosed