SCHEMBL21592465

SCHEMBL21592465

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CCCC6)cc5)c4c3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.66
MAP4K1 Q92918 4/20 0.62
IL2 P60568 1/20 0.62
TNIK Q9UKE5 4/20 0.59
CLK1 P49759 1/20 0.54
DYRK1A Q13627 1/20 0.54
SGK1 O00141 3/20 0.53
IGF1R P08069 1/20 0.52
AXL P30530 2/20 0.52
CAMKK2 Q96RR4 2/20 0.52
CHEK1 O14757 1/20 0.51

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
SCHEMBL21592498 0.99 MAP3K11 (0.65) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592545 0.98 MAP3K11 (0.66) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592426 0.96 MAP3K11 (0.71) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592572 0.93 MAP3K11 (0.64) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592558 0.92 MAP3K11 (0.63) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592517 0.91 MAP3K11 (0.62) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592617 0.90 MAP3K11 (0.61) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592469 0.89 MAP4K1 (0.63) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL21592497 0.88 SGK1 (0.68) MAP3K11MAP4K1IL2TNIKCLK1
SCHEMBL28504766 0.88 AXL (0.67) MAP3K11MAP4K1IL2TNIKCLK1

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