SCHEMBL21592869

SCHEMBL21592869

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4F)c3c2)cc(C)c1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.66
NTRK1 P04629 2/20 0.47
AXL P30530 1/20 0.44
MAP3K11 Q16584 4/20 0.43
PIK3CG P48736 1/20 0.40
KIT P10721 1/20 0.40
IGF1R P08069 2/20 0.40
TNIK Q9UKE5 2/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL21592896 0.91 MAP4K1 (0.79) MAP4K1NTRK1MAP3K11PIK3CGKIT
SCHEMBL21592871 0.91 MAP4K1 (0.63) MAP4K1NTRK1AXLMAP3K11PIK3CG
SCHEMBL21592735 0.87 MAP4K1 (0.67) MAP4K1AXLMAP3K11PIK3CGTNIK
SCHEMBL21592854 0.84 MAP4K1 (0.60) MAP4K1AXLMAP3K11PIK3CGIGF1R
SCHEMBL21592812 0.83 MAP4K1 (0.81) MAP4K1NTRK1MAP3K11PIK3CGIGF1R
SCHEMBL21592765 0.83 MAP4K1 (0.66) MAP4K1NTRK1MAP3K11KITIGF1R
SCHEMBL21592900 0.82 MAP4K1 (0.66) MAP4K1NTRK1MAP3K11KITTNIK
SCHEMBL21592901 0.81 MAP4K1 (0.75) MAP4K1NTRK1MAP3K11PIK3CGIGF1R
SCHEMBL21592803 0.80 MAP4K1 (0.71) MAP4K1NTRK1MAP3K11PIK3CGKIT
SCHEMBL21592926 0.79 MAP4K1 (0.78) MAP4K1AXLMAP3K11PIK3CGTNIK

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