SCHEMBL21593022

SCHEMBL21593022

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCN(C)C5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.61
MAP3K11 Q16584 5/20 0.59
TNIK Q9UKE5 5/20 0.53
IGF1R P08069 2/20 0.49
IL2 P60568 3/20 0.49
CAMKK2 Q96RR4 1/20 0.46
SGK1 O00141 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL21592565 0.90 MAP4K1 (0.59) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21592935 0.88 MAP4K1 (0.58) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL28502252 0.88 MAP4K1 (0.65) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL21592790 0.88 MAP4K1 (0.74) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21592938 0.88 MAP4K1 (0.63) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21593032 0.88 MAP4K1 (0.63) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21593033 0.88 MAP4K1 (0.63) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21593008 0.87 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21592568 0.87 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21593059 0.87 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIGF1RIL2

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