SCHEMBL21592937

SCHEMBL21592937

CCOc1cc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(C)c4)cc23)ccc1C(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.56
TNIK Q9UKE5 2/20 0.52
IL2 P60568 3/20 0.50
CAMKK2 Q96RR4 1/20 0.46
ABL1 P00519 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAP3K11 Q16584 3/20 0.44
KIT P10721 1/20 0.44

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
SCHEMBL21592934 0.92 MAP4K1 (0.58) MAP4K1TNIKIL2CAMKK2KIT
SCHEMBL21592622 0.90 MAP4K1 (0.59) MAP4K1TNIKIL2CAMKK2ABL1
SCHEMBL21592631 0.88 MAP4K1 (0.57) MAP4K1TNIKIL2CAMKK2MAP3K11
SCHEMBL21592893 0.86 MAP4K1 (0.57) MAP4K1TNIKCAMKK2
SCHEMBL21592757 0.85 MAP4K1 (0.54) MAP4K1TNIKIL2CAMKK2MAP3K11
SCHEMBL21593056 0.85 MAP4K1 (0.58) MAP4K1TNIKIL2CAMKK2
SCHEMBL21592647 0.84 MAP4K1 (0.62) MAP4K1TNIKIL2CAMKK2CYP3A4
SCHEMBL21592889 0.83 MAP4K1 (0.57) MAP4K1TNIKIL2CAMKK2MAP3K11
SCHEMBL21592688 0.82 MAP4K1 (0.56) MAP4K1TNIKIL2ABL1MAP3K11
SCHEMBL28502217 0.82 MAP4K1 (0.59) MAP4K1TNIKIL2CAMKK2CYP3A4

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