SCHEMBL30452163

SCHEMBL30452163

Nc1n[nH]c2c1cnc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46
ACVR1 Q04771 1/20 0.46
TNK2 Q07912 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL29254423 0.80 KDM4E (0.41) KDM4EGPR3GABRA1GABRG2GABRB3
SCHEMBL29254513 0.79 ALDH1A1 (0.50) KDM4EGAAMAP4K4CSF1RFGFR1
SCHEMBL4548298 0.76 GABRA1 (0.38) KDM4EGPR3GABRA1GABRG2GABRB3
SCHEMBL4728664 0.75 DYRK1A (0.46) CDK5CLK4DYRK1BGABRA1GABRG2
SCHEMBL1897984 0.73 KMT2A (0.43) KDM4EPDPK1CYP3A4GAACDK5
SCHEMBL19020845 0.70 GPR3 (0.68) KDM4EPDPK1CYP3A4PI4KAPI4K2B
SCHEMBL29116723 0.69 CHEK1 (0.53) KDM4EPDPK1CYP3A4GAAMAP4K4
SCHEMBL18264145 0.69 CHEK1 (0.49) KDM4EPDPK1CYP3A4GAAMAP4K4
SCHEMBL842044 0.69 QTRT1 (0.51) KDM4EGAAPI4KAPI4K2BPI4K2A
SCHEMBL23145214 0.68 GPR3 (0.44) KDM4EPDPK1GPR3GABRA1GABRG2

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
CN-113038949-B Neutrophil inflammation inhibitor and application thereof 长庚学校长庚科技大学 2023-07-14 CN disclosed