SCHEMBL29037708

SCHEMBL29037708

COc1cc(Nc2ncc(Cl)c(C(=O)Nc3c(Cl)cccc3C#N)n2)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
FGFR3 P22607 9/20 0.58
PAK1 Q13153 7/20 0.54
PKMYT1 Q99640 1/20 0.53
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
ALK Q9UM73 1/20 0.53
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
TNIK Q9UKE5 1/20 0.51
KDR P35968 3/20 0.50

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 0.93 EGFR (0.55) EGFRFGFR3PAK1PKMYT1INSR
SCHEMBL29037747 0.93 EGFR (0.65) EGFRFGFR3PAK1FGFR1FGFR2
SCHEMBL29037832 0.88 EGFR (0.51) EGFRFGFR3PAK1PKMYT1INSR
SCHEMBL29037755 0.88 SIK1 (0.52) EGFRPAK1
SCHEMBL29037794 0.84 EGFR (0.65) EGFRFGFR3PAK1INSRIGF1R
SCHEMBL29037715 0.83 BTK (0.49) EGFRPAK1FGFR1
SCHEMBL29037756 0.81 EGFR (0.61) EGFRFGFR3PAK1ALKFGFR1
SCHEMBL29037894 0.81 PAK1 (0.61) EGFRFGFR3PAK1ALKFGFR1
SCHEMBL30444439 0.81 EGFR (0.61) EGFRFGFR3PAK1ALKFGFR1
SCHEMBL29037691 0.80 JAK3 (0.57) EGFRPKMYT1INSRIGF1RFGFR1

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