SCHEMBL21592680

SCHEMBL21592680

CN(C)CCN(C)C(O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCCN(C)CC5)c(C#N)c4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.51
TNIK Q9UKE5 11/20 0.47
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDC42BPA Q5VT25 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
MAP3K11 Q16584 3/20 0.42
IL2 P60568 3/20 0.41
NTRK1 P04629 2/20 0.40
SGK1 O00141 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
PRKAB2 O43741 1/20 0.39
ABL1 P00519 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL21592685 0.85 MAP3K11 (0.47) MAP4K1TNIKROCK2ROCK1CDC42BPA
SCHEMBL21592650 0.82 MAP4K1 (0.56) MAP4K1TNIKROCK2ROCK1CDC42BPA
SCHEMBL21592671 0.82 MAP4K1 (0.55) MAP4K1TNIKROCK2ROCK1CDC42BPA
SCHEMBL21590294 0.79 ROCK2 (0.52) MAP4K1TNIKROCK2ROCK1CDC42BPA
SCHEMBL21592605 0.78 MAP4K1 (0.58) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21592556 0.78 MAP4K1 (0.62) MAP4K1TNIKMAP3K11IGF1R
SCHEMBL28905284 0.77 SGK1 (0.57) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21592821 0.77 TNIK (0.55) MAP4K1TNIKMAP3K11IL2NTRK1
SCHEMBL28503521 0.77 TNIK (0.53) MAP4K1TNIKROCK2ROCK1CDC42BPA
SCHEMBL21592834 0.76 MAP3K11 (0.47) MAP4K1TNIKMAP3K11IL2SGK1

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