SCHEMBL29037865

SCHEMBL29037865

O=C(O)c1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.64
JAK2 O60674 4/20 0.60
JAK1 P23458 4/20 0.60
JAK3 P52333 4/20 0.60
LRRK2 Q5S007 1/20 0.53
PTK2 Q05397 2/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
EGFR P00533 3/20 0.51
TNK2 Q07912 2/20 0.51
PKMYT1 Q99640 2/20 0.50
INSR P06213 1/20 0.50
IGF1R P08069 1/20 0.50
PTK2B Q14289 1/20 0.50
SLC2A1 P11166 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL29037757 0.89 CDK6 (0.59) FGFR1JAK2JAK1JAK3EGFR
SCHEMBL29037725 0.87 ALK (0.57) FGFR1JAK2JAK1JAK3EGFR
SCHEMBL29037770 0.86 FGFR1 (0.58) FGFR1JAK2JAK1JAK3PTK2
SCHEMBL29037691 0.81 JAK3 (0.57) FGFR1JAK2JAK1JAK3LRRK2
SCHEMBL29037749 0.80 ALK (0.69) FGFR1EGFRSLC2A1
SCHEMBL30839225 0.80 TNK2 (0.56) FGFR1JAK2JAK1JAK3LRRK2
SCHEMBL29235971 0.80 TNK2 (0.56) FGFR1JAK2JAK1JAK3LRRK2
SCHEMBL29037857 0.76 EGFR (0.64) JAK2JAK1JAK3EGFRTNK2
SCHEMBL16446555 0.76 JAK2 (1.00) JAK2JAK1JAK3MAPK8MAPK9
SCHEMBL23704673 0.75 PKMYT1 (0.69) JAK3LRRK2PTK2MAPK8MAPK9

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