SCHEMBL28962175

SCHEMBL28962175

COc1nn(C2CCNCC2)cc1-c1cnc(N)c2cc(C#N)c(-c3c(C)cccc3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
MAP4K3 Q8IVH8 6/20 0.41
FGFR1 P11362 4/20 0.35
FGFR2 P21802 4/20 0.35
FGFR3 P22607 4/20 0.35
MAP4K1 Q92918 1/20 0.35
ALK Q9UM73 1/20 0.34
MET P08581 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GRK2 P25098 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL28927885 0.91 MAP4K3 (0.43) KDM1AMAP4K3MAP4K1ALKMET
SCHEMBL28927868 0.86 GPR119 (0.38) KDM1A
SCHEMBL28634046 0.84 MAP4K3 (0.59) MAP4K3ALKMETACVRL1ACVR1
SCHEMBL28927875 0.78 GPR119 (0.39) KDM1A
SCHEMBL28638645 0.76 MAP4K3 (0.39) KDM1AMAP4K3MAP4K1JAK2
SCHEMBL29929924 0.73 MAP3K7 (0.47) MAP4K3MAP4K1
SCHEMBL28927864 0.73 PIM1 (0.43) MAP4K1
SCHEMBL28927866 0.73 MAP4K1 (0.46) MAP4K1ACVRL1ACVR1TYK2
SCHEMBL28636439 0.72 MAP3K7 (0.51) MAP4K3
SCHEMBL28633555 0.70 MAP4K1 (0.42) KDM1AMAP4K1

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-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed