SCHEMBL29037832

SCHEMBL29037832

COc1cccc(C#N)c1NC(=O)c1nc(Nc2ccc(N3CCN(C4CCN(C)CC4)CC3)c(C)c2)ncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.51
FGFR3 P22607 2/20 0.48
INSR P06213 2/20 0.48
IGF1R P08069 2/20 0.48
ALK Q9UM73 2/20 0.48
CSF1R P07333 2/20 0.48
PAK1 Q13153 6/20 0.48
SLC2A1 P11166 1/20 0.48
PKMYT1 Q99640 2/20 0.47
SRC P12931 1/20 0.47
TNIK Q9UKE5 1/20 0.45
TNK2 Q07912 1/20 0.45

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 0.95 EGFR (0.55) EGFRFGFR3INSRIGF1RALK
SCHEMBL29037708 0.88 EGFR (0.59) EGFRFGFR3INSRIGF1RALK
SCHEMBL29037755 0.85 SIK1 (0.52) EGFRPAK1SRCTNK2
SCHEMBL29037747 0.82 EGFR (0.65) EGFRFGFR3PAK1
SCHEMBL29037876 0.81 EGFR (0.60) EGFRALKCSF1RTNK2
SCHEMBL29520529 0.79 PKMYT1 (0.44) EGFRINSRIGF1RALKPAK1
SCHEMBL29037894 0.79 PAK1 (0.61) EGFRFGFR3ALKPAK1
SCHEMBL30444439 0.79 EGFR (0.61) EGFRFGFR3ALKPAK1
SCHEMBL29037756 0.79 EGFR (0.61) EGFRFGFR3ALKPAK1
SCHEMBL29037857 0.78 EGFR (0.64) EGFRFGFR3ALKCSF1RTNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
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