SCHEMBL21592580

SCHEMBL21592580

Cc1cnnn1-c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(F)c4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.51
IL2 P60568 3/20 0.51
TNIK Q9UKE5 5/20 0.49
MAP3K11 Q16584 4/20 0.44
DYRK1A Q13627 3/20 0.43
CLK1 P49759 2/20 0.43
FLT3 P36888 2/20 0.42
RPS6KB1 P23443 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
ABL1 P00519 1/20 0.42
INSR P06213 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL21592835 0.91 MAP4K1 (0.60) MAP4K1IL2TNIKMAP3K11FLT3
SCHEMBL28504698 0.83 TNIK (0.55) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592853 0.82 MAP4K1 (0.64) MAP4K1IL2MAP3K11DYRK1A
SCHEMBL21592978 0.78 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592578 0.77 MAP4K1 (0.50) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL28502534 0.76 MAP4K1 (0.46) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21593019 0.76 MAP4K1 (0.49) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592927 0.76 MAP3K11 (0.57) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592423 0.75 MAP4K1 (0.72) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL28605040 0.74 MAP4K1 (0.53) MAP4K1IL2MAP3K11DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
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