SCHEMBL21592941

SCHEMBL21592941

Cc1cc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C)CC5)c(C#N)c4)cc23)ccc1C(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.51
TNIK Q9UKE5 5/20 0.50
CAMKK2 Q96RR4 4/20 0.48
IL2 P60568 1/20 0.47
SGK1 O00141 1/20 0.46
AURKA O14965 1/20 0.46
CAMKK1 Q8N5S9 1/20 0.46
SGK3 Q96BR1 1/20 0.46
SGK2 Q9HBY8 1/20 0.46
PIK3CG P48736 2/20 0.46
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MAP3K11 Q16584 1/20 0.45

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
SCHEMBL21592771 0.91 MAP4K1 (0.56) MAP4K1TNIKIL2SGK1DYRK1A
SCHEMBL21593027 0.85 MAP4K1 (0.59) MAP4K1TNIKCAMKK2IL2SGK1
SCHEMBL21592757 0.84 MAP4K1 (0.54) MAP4K1TNIKCAMKK2IL2PIK3CG
SCHEMBL21592888 0.83 TNIK (0.49) MAP4K1TNIKCAMKK2IL2SGK1
SCHEMBL21592884 0.83 TNIK (0.49) MAP4K1TNIKCAMKK2IL2SGK1
SCHEMBL21593056 0.81 MAP4K1 (0.58) MAP4K1TNIKCAMKK2IL2SGK1
SCHEMBL21592622 0.81 MAP4K1 (0.59) MAP4K1TNIKCAMKK2IL2PIK3CG
SCHEMBL21592852 0.80 MAP4K1 (0.60) MAP4K1TNIKCAMKK2IL2PIK3CG
SCHEMBL21592788 0.79 MAP4K1 (0.58) MAP4K1TNIKCAMKK2IL2SGK1
SCHEMBL21593030 0.79 MAP4K1 (0.58) MAP4K1TNIKCAMKK2IL2SGK1

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