SCHEMBL31738476

SCHEMBL31738476

C[C@@H](Oc1cccnc1N)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.47
▸ MET P08581 2/20 0.47
▸ ADRA2A P08913 9/20 0.44
▸ ADRA2B P18089 9/20 0.44
▸ ADRA2C P18825 9/20 0.44
▸ MAOA P21397 3/20 0.44
▸ MAOB P27338 3/20 0.44
▸ NISCH Q9Y2I1 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ALK Q9UM73 2/20 0.42
▸ MAP4K4 O95819 1/20 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
SCHEMBL29857687 0.79 MET (0.53) JAK2METADRA2AADRA2BADRA2C
SCHEMBL9125664 0.79 MET (0.53) JAK2METADRA2AADRA2BADRA2C
SCHEMBL1921437 0.73 MET (0.52) METADRA2AADRA2BADRA2CNISCH
SCHEMBL15140610 0.73 ALK (0.58) JAK2METALK
SCHEMBL2592205 0.73 ALK (0.58) JAK2METALK
SCHEMBL15140533 0.72 MET (0.60) JAK2METALK
SCHEMBL24006736 0.71 JAK2 (0.54) JAK2METALK
SCHEMBL28380654 0.71 JAK2 (0.69) JAK2MET
SCHEMBL24006750 0.71 JAK2 (0.54) JAK2METALK
SCHEMBL15779022 0.71 MET (0.62) JAK2MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121045139-A (R) -3- (1- ([ 1,1' -biphenyl ] -2-yl) ethoxy) pyridin-2-amine derivative and synthesis method and application thereof 南方医科大学 2025-12-02 — — CN disclosed
CN-121045139-A (R) -3- (1- ([ 1,1' -biphenyl ] -2-yl) ethoxy) pyridin-2-amine derivative and synthesis method and application thereof 南方医科大学 2025-12-02 — — CN disclosed
Send feedback