SCHEMBL21592996

SCHEMBL21592996

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3c2)cc(F)c1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.58
IL2 P60568 4/20 0.58
TNIK Q9UKE5 1/20 0.53
ABL1 P00519 2/20 0.51
MAP3K11 Q16584 4/20 0.50
KIT P10721 1/20 0.48

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
SCHEMBL21592682 0.94 MAP4K1 (0.60) MAP4K1IL2TNIKABL1MAP3K11
SCHEMBL21592733 0.93 TNIK (0.58) MAP4K1IL2TNIKMAP3K11
SCHEMBL21592707 0.91 MAP4K1 (0.58) MAP4K1IL2TNIKABL1MAP3K11
SCHEMBL21592637 0.87 MAP4K1 (0.59) MAP4K1IL2TNIKABL1MAP3K11
SCHEMBL21592864 0.86 KIT (0.57) MAP4K1IL2TNIKMAP3K11KIT
SCHEMBL21592932 0.86 MAP4K1 (0.56) MAP4K1IL2TNIKMAP3K11KIT
SCHEMBL21592978 0.85 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11
SCHEMBL21592728 0.85 MAP4K1 (0.55) MAP4K1IL2TNIKMAP3K11
SCHEMBL21592566 0.85 MAP4K1 (0.65) MAP4K1IL2TNIKMAP3K11
SCHEMBL21592636 0.84 MAP4K1 (0.63) MAP4K1IL2TNIKMAP3K11

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