SCHEMBL29520529

SCHEMBL29520529

COc1cccc(C#N)c1NC(=O)c1nc(Nc2ccc3c(c2)OC[C@@H]2CN(C)CCN32)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 2/20 0.44
PAK1 Q13153 10/20 0.44
WEE1 P30291 1/20 0.43
TNIK Q9UKE5 1/20 0.41
SLC2A1 P11166 1/20 0.41
ALK Q9UM73 2/20 0.40
INSR P06213 2/20 0.40
IGF1R P08069 1/20 0.40
EGFR P00533 3/20 0.40
MET P08581 1/20 0.39
PTK2 Q05397 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
SCHEMBL29037854 0.80 EGFR (0.55) PKMYT1PAK1TNIKALKINSR
SCHEMBL29520433 0.80 WEE1 (0.52) PAK1WEE1SLC2A1ALKINSR
SCHEMBL29037832 0.79 EGFR (0.51) PKMYT1PAK1TNIKSLC2A1ALK
SCHEMBL29520379 0.78 PAK1 (0.42) PKMYT1PAK1TNIKEGFR
SCHEMBL29520363 0.78 PAK1 (0.42) PKMYT1PAK1TNIKEGFR
SCHEMBL29037708 0.78 EGFR (0.59) PKMYT1PAK1TNIKALKINSR
SCHEMBL29520343 0.76 PAK1 (0.45) PKMYT1PAK1TNIKSLC2A1EGFR
SCHEMBL29520330 0.75 MAP4K1 (0.59) ALKMET
SCHEMBL29037729 0.75 MAP4K1 (0.59) ALKMET
SCHEMBL29037768 0.74 MAPK8 (0.51) ALK

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-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed