SCHEMBL21592939

SCHEMBL21592939

Cc1cc(-c2cnc3[nH]cc(-c4ccc(OCC(=O)N(C)C)nc4)c3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.56
TNIK Q9UKE5 7/20 0.50
IL2 P60568 3/20 0.48
MAP3K11 Q16584 4/20 0.47
CAMKK2 Q96RR4 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
SCHEMBL21592809 0.92 MAP4K1 (0.57) MAP4K1TNIKIL2MAP3K11
SCHEMBL21592695 0.86 MAP4K1 (0.56) MAP4K1TNIKIL2MAP3K11
SCHEMBL21592566 0.84 MAP4K1 (0.65) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592852 0.83 MAP4K1 (0.60) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL28906168 0.83 MAP4K1 (0.56) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL28499799 0.81 SGK1 (0.63) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592688 0.81 MAP4K1 (0.56) MAP4K1TNIKIL2MAP3K11
SCHEMBL21592569 0.81 MAP4K1 (0.62) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL28517248 0.81 MAP4K1 (0.64) MAP4K1TNIKIL2MAP3K11CAMKK2
SCHEMBL21592683 0.81 TNIK (0.69) MAP4K1TNIKCAMKK2

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