SCHEMBL28675336

SCHEMBL28675336

CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5cccc(OCc6ccccc6)c5)c4c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 11/20 0.65
ALK Q9UM73 3/20 0.53
FLT3 P36888 4/20 0.51
KIT P10721 3/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR2 Q92731 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
LCK P06239 1/20 0.48
MAP4K3 Q8IVH8 1/20 0.48
PRMT5 O14744 1/20 0.47

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
SCHEMBL30290736 1.00 MAP4K1 (0.65) MAP4K1ALKFLT3KITUSP2
SCHEMBL28682125 0.93 MAP4K1 (0.73) MAP4K1ALKFLT3KITUSP2
SCHEMBL30290659 0.93 MAP4K1 (0.73) MAP4K1ALKFLT3KITUSP2
SCHEMBL28667560 0.88 MAP4K1 (0.59) MAP4K1ALKFLT3KITLCK
SCHEMBL30290664 0.88 MAP4K1 (0.59) MAP4K1ALKFLT3KITLCK
SCHEMBL30290485 0.88 MAP4K1 (0.64) MAP4K1ALKLCKMAP4K3
SCHEMBL28680971 0.88 MAP4K1 (0.64) MAP4K1ALKLCKMAP4K3
SCHEMBL30290646 0.87 MAP4K1 (0.58) MAP4K1ALKFLT3KITLCK
SCHEMBL28674874 0.86 MAP4K1 (0.71) MAP4K1ALKLCKMAP4K3
SCHEMBL30290640 0.86 MAP4K1 (0.71) MAP4K1ALKLCKMAP4K3

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-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2021-12-31 CN disclosed