SCHEMBL21592987

SCHEMBL21592987

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CC(O)C6)cc5)c4c3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.55
MAP3K11 Q16584 5/20 0.55
IGF1R P08069 2/20 0.51
TNIK Q9UKE5 5/20 0.49
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
IL2 P60568 3/20 0.45
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
SGK1 O00141 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
SCHEMBL21592782 0.91 MAP4K1 (0.66) MAP4K1MAP3K11IGF1RTNIKCLK1
SCHEMBL21592777 0.90 MAP4K1 (0.55) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592927 0.89 MAP3K11 (0.57) MAP4K1MAP3K11IGF1RTNIKCLK1
SCHEMBL21592617 0.87 MAP3K11 (0.61) MAP4K1MAP3K11IGF1RTNIKCLK1
SCHEMBL28503521 0.86 TNIK (0.53) MAP4K1MAP3K11IGF1RTNIKIL2
SCHEMBL21592929 0.86 MAP3K11 (0.52) MAP4K1MAP3K11IGF1RTNIKCLK1
SCHEMBL21592938 0.85 MAP4K1 (0.63) MAP4K1MAP3K11IGF1RTNIKDYRK1A
SCHEMBL21593033 0.85 MAP4K1 (0.63) MAP4K1MAP3K11IGF1RTNIKDYRK1A
SCHEMBL21593032 0.85 MAP4K1 (0.63) MAP4K1MAP3K11IGF1RTNIKDYRK1A
SCHEMBL21592966 0.85 MAP4K1 (0.73) MAP4K1MAP3K11IGF1RTNIKIL2

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