SCHEMBL29537623

SCHEMBL29537623

Cn1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(Nc3cc(NC(=O)CCl)ccc3F)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 7/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ KDR P35968 2/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ MERTK Q12866 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TYRO3 Q06418 5/20 0.43
▸ AXL P30530 3/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42

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
SCHEMBL24393097 1.00 DDR2 (0.47) DDR2JAK3KDRAURKBMERTK
Trifluoroacetic Acid SCHEMBL29250582 0.97 DDR2 (0.45) DDR2JAK3KDRAURKBMERTK
SCHEMBL29250731 0.90 DDR2 (0.44) DDR2JAK3KDRAURKBMERTK
Pebezertinib SCHEMBL24392854 0.89 JAK3 (0.54) DDR2JAK3KDRAURKBMERTK
SCHEMBL29250733 0.89 DDR2 (0.44) DDR2JAK3KDRAURKBMERTK
SCHEMBL24392820 0.88 DDR2 (0.47) DDR2JAK3KDRAURKBMERTK
SCHEMBL29536962 0.88 DDR2 (0.47) DDR2JAK3KDRAURKBMERTK
SCHEMBL24393090 0.87 DDR2 (0.46) DDR2JAK3KDRAURKBMERTK
SCHEMBL29537705 0.87 DDR2 (0.46) DDR2JAK3KDRAURKBMERTK
Pebezertinib SCHEMBL29538037 0.87 JAK3 (0.49) DDR2JAK3KDRAURKBMERTK

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
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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