SCHEMBL21592811

SCHEMBL21592811

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CC(N(C)C)C6)cc5)c4c3)cc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.65
MAP3K11 Q16584 5/20 0.51
IGF1R P08069 2/20 0.50
TNIK Q9UKE5 5/20 0.47
WDR5 P61964 2/20 0.43
KCNH2 Q12809 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
IL2 P60568 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
SCHEMBL21592777 0.92 MAP4K1 (0.55) MAP4K1MAP3K11IGF1RTNIKWDR5
SCHEMBL21592782 0.91 MAP4K1 (0.66) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592790 0.90 MAP4K1 (0.74) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592882 0.90 MAP4K1 (0.62) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592726 0.88 MAP4K1 (0.65) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592814 0.88 MAP4K1 (0.65) MAP4K1MAP3K11IGF1RTNIK
SCHEMBL21592783 0.88 MAP3K11 (0.55) MAP4K1MAP3K11IGF1RTNIKWDR5
SCHEMBL21592885 0.87 MAP4K1 (0.57) MAP4K1MAP3K11IGF1RTNIKWDR5
SCHEMBL21592588 0.86 MAP4K1 (0.71) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592787 0.85 IGF1R (0.51) MAP4K1MAP3K11IGF1RTNIKWDR5

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