SCHEMBL28509463

SCHEMBL28509463

Cc1cc(-c2cnc3[nH]cc(-c4ccc(OCCCCN5C(=O)c6ccccc6C5=O)cc4)c3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.48
TNIK Q9UKE5 5/20 0.48
MAP4K1 Q92918 5/20 0.48
IL2 P60568 3/20 0.45
PIK3CG P48736 3/20 0.44
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28513553 0.98 MAP3K11 (0.49) MAP3K11TNIKMAP4K1IL2PIK3CG
SCHEMBL28905289 0.87 MAP4K1 (0.58) MAP3K11TNIKMAP4K1IL2
SCHEMBL21592846 0.86 MAP3K11 (0.53) MAP3K11TNIKMAP4K1IL2
SCHEMBL21592832 0.85 MAP3K11 (0.54) MAP3K11TNIKMAP4K1IL2
SCHEMBL28906168 0.81 MAP4K1 (0.56) MAP3K11TNIKMAP4K1IL2PIK3CG
SCHEMBL21592695 0.81 MAP4K1 (0.56) MAP3K11TNIKMAP4K1IL2
SCHEMBL21592809 0.79 MAP4K1 (0.57) MAP3K11TNIKMAP4K1IL2
SCHEMBL28905296 0.79 JAK2 (0.55) MAPT
SCHEMBL28507129 0.78 TNIK (0.59) MAP3K11TNIKMAP4K1IL2
SCHEMBL28513938 0.78 MAP4K1 (0.56) MAP3K11TNIKMAP4K1IL2

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed