SCHEMBL30786184

SCHEMBL30786184

c1ccc2c(c1)cnn2-c1ccc(OCCN2CCCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.52
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
PTGS2 P35354 1/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
HSF1 Q00613 1/20 0.45
BACE1 P56817 2/20 0.45
AXL P30530 2/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL1875813 0.80 HRH3 (0.54) HTR3A
SCHEMBL31475222 0.75 FGFR1 (0.42) LTA4HCCNE1CDK2CCNT1CDK9
SCHEMBL22171170 0.72 CHRNB2 (0.52) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL22171116 0.71 PSMB1 (0.51) LTA4HCHRNB2CHRNA4PSMB1PSMB5
SCHEMBL23405928 0.69 LTA4H (0.65) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL29743978 0.69 LTA4H (0.65) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL20255227 0.69 CHRNB2 (0.59) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL2328227 0.69 LTA4H (0.60) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL31329166 0.69 LTA4H (0.60) LTA4HCHRNB2CHRNA4PTGS2PSMB1
SCHEMBL18291218 0.69 LTA4H (0.60) LTA4HCHRNB2CHRNA4PTGS2PSMB1

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-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed