SCHEMBL21592889

SCHEMBL21592889

Cc1cc(-c2cnc3[nH]cc(-c4cc(F)c(C(=O)N(C)C)c(F)c4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.57
TNIK Q9UKE5 4/20 0.51
IL2 P60568 3/20 0.45
MAP3K11 Q16584 3/20 0.45
AXL P30530 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
DYRK1A Q13627 1/20 0.43
RPS6KB1 P23443 1/20 0.43
FLT3 P36888 1/20 0.43
RPS6KA3 P51812 1/20 0.43

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
SCHEMBL21592647 0.88 MAP4K1 (0.62) MAP4K1TNIKIL2MAP3K11AXL
SCHEMBL21592622 0.87 MAP4K1 (0.59) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592978 0.85 MAP4K1 (0.59) MAP4K1TNIKIL2MAP3K11DYRK1A
SCHEMBL28502217 0.85 MAP4K1 (0.59) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592934 0.85 MAP4K1 (0.58) MAP4K1TNIKIL2CAMKK2DYRK1A
SCHEMBL21592665 0.83 MAP4K1 (0.55) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592937 0.83 MAP4K1 (0.56) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592631 0.83 MAP4K1 (0.57) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592893 0.83 MAP4K1 (0.57) MAP4K1TNIKAXLCAMKK2
SCHEMBL21592875 0.83 MAP4K1 (0.56) MAP4K1TNIKIL2MAP3K11DYRK1A

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
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed