SCHEMBL21592771

SCHEMBL21592771

CN1CCC(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4c3)cc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.56
TNIK Q9UKE5 8/20 0.55
MAP3K11 Q16584 3/20 0.48
IL2 P60568 1/20 0.47
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
IGF1R P08069 1/20 0.45
SGK1 O00141 1/20 0.45
CYP3A4 P08684 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
SCHEMBL21592941 0.91 MAP4K1 (0.51) MAP4K1TNIKMAP3K11IL2DYRK1A
SCHEMBL21593027 0.89 MAP4K1 (0.59) MAP4K1TNIKMAP3K11IL2IGF1R
SCHEMBL21592788 0.88 MAP4K1 (0.58) MAP4K1TNIKMAP3K11IL2IGF1R
SCHEMBL21592976 0.87 MAP4K1 (0.60) MAP4K1TNIKMAP3K11IL2DYRK1A
SCHEMBL21592605 0.87 MAP4K1 (0.58) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21592905 0.86 MAP4K1 (0.57) MAP4K1TNIKMAP3K11IL2IGF1R
SCHEMBL21592671 0.84 MAP4K1 (0.55) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21593030 0.83 MAP4K1 (0.58) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21592887 0.83 MAP4K1 (0.57) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21592947 0.82 MAP4K1 (0.57) MAP4K1TNIKMAP3K11IL2IGF1R

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