SCHEMBL21592871

SCHEMBL21592871

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4F)c3c2)cc(C)c1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.63
AXL P30530 1/20 0.42
MAP3K11 Q16584 5/20 0.39
IGF1R P08069 2/20 0.39
NTRK1 P04629 1/20 0.37
PIK3CG P48736 4/20 0.36
TNIK Q9UKE5 1/20 0.36
JAK2 O60674 2/20 0.36

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
SCHEMBL21592901 0.91 MAP4K1 (0.75) MAP4K1MAP3K11IGF1RNTRK1PIK3CG
SCHEMBL21592869 0.91 MAP4K1 (0.66) MAP4K1AXLMAP3K11IGF1RNTRK1
SCHEMBL21592735 0.85 MAP4K1 (0.67) MAP4K1AXLMAP3K11PIK3CGTNIK
SCHEMBL24723493 0.84 MAP4K1 (0.63) MAP4K1MAP3K11IGF1RNTRK1PIK3CG
SCHEMBL21592819 0.83 MAP4K1 (0.75) MAP4K1MAP3K11NTRK1PIK3CGTNIK
SCHEMBL21592904 0.83 MAP4K1 (0.62) MAP4K1MAP3K11TNIK
SCHEMBL21592854 0.82 MAP4K1 (0.60) MAP4K1AXLMAP3K11IGF1RPIK3CG
SCHEMBL21592896 0.81 MAP4K1 (0.79) MAP4K1MAP3K11IGF1RNTRK1PIK3CG
SCHEMBL21592838 0.81 MAP4K1 (0.58) MAP4K1MAP3K11JAK2
SCHEMBL21592807 0.80 MAP4K1 (0.66) MAP4K1MAP3K11PIK3CG

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