SCHEMBL21592852

SCHEMBL21592852

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c(N5CCN(C)CC5)c(C)c4)cc23)ccc1C(=O)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.60
TNIK Q9UKE5 4/20 0.56
CAMKK2 Q96RR4 1/20 0.55
IL2 P60568 3/20 0.50
MAP3K11 Q16584 3/20 0.50
PIK3CG P48736 2/20 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
SCHEMBL21592559 0.93 MAP4K1 (0.55) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592652 0.93 MAP4K1 (0.55) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592566 0.92 MAP4K1 (0.65) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592622 0.90 MAP4K1 (0.59) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21593057 0.89 MAP4K1 (0.66) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592683 0.89 TNIK (0.69) MAP4K1TNIKCAMKK2PIK3CG
SCHEMBL21592924 0.87 MAP4K1 (0.60) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592831 0.86 MAP4K1 (0.57) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592684 0.86 MAP4K1 (0.69) MAP4K1TNIKCAMKK2IL2MAP3K11
SCHEMBL21592569 0.85 MAP4K1 (0.62) MAP4K1TNIKCAMKK2IL2MAP3K11

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