SCHEMBL30113065

SCHEMBL30113065

c1cncc(-c2cnn(C3CCNCC3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.64
MAP4K3 Q8IVH8 5/20 0.57
IRAK4 Q9NWZ3 2/20 0.56
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP3A5 P20815 2/20 0.52
CYP3A7 P24462 2/20 0.52
CYP2C19 P33261 2/20 0.52
PDK4 Q16654 2/20 0.52
CYP3A43 Q9HB55 2/20 0.52
IRAK1 P51617 1/20 0.52
ACVR1 Q04771 1/20 0.51
MET P08581 2/20 0.49
ALK Q9UM73 3/20 0.49
INPPL1 O15357 1/20 0.48

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
SCHEMBL15431234 0.87 IRAK4 (0.61) PIM1MAP4K3IRAK4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL15416021 0.86 IRAK4 (0.60) PIM1MAP4K3IRAK4CHRNB2CHRNA4
SCHEMBL2300261 0.85 CHRNB2 (0.66) MAP4K3IRAK4CHRNB2CHRNA4CYP1A2
SCHEMBL14688907 0.79 PIM1 (1.00) PIM1
SCHEMBL26818517 0.79 IRAK4 (0.61) MAP4K3IRAK4CHRNB2CHRNA4IRAK1
SCHEMBL16758530 0.78 MET (0.64) MAP4K3METALK
SCHEMBL30108193 0.77 PIM1 (0.52) PIM1MAP4K3IRAK4CHRNB2CHRNA4
SCHEMBL16758540 0.77 MET (0.63) MAP4K3MET
SCHEMBL14320710 0.77 PIM1 (0.54) PIM1MAP4K3IRAK4CHRNB2CHRNA4
SCHEMBL10040495 0.77 ALK (0.59) PIM1MAP4K3IRAK4CHRNB2CHRNA4

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-110156770-B Aminopyridine derivatives as inhibitors of TAM family kinases 圣诺康生命科学公司 2022-10-04 CN disclosed