SCHEMBL29537886

SCHEMBL29537886

[2H]C([2H])([2H])n1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(Nc3cc(NC(=O)OC(C)(C)C)ccc3F)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.43
▸ KDR P35968 4/20 0.42
▸ DDR2 Q16832 6/20 0.41
▸ MERTK Q12866 4/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ JAK3 P52333 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYRO3 Q06418 4/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ AXL P30530 2/20 0.37

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
Pebezertinib SCHEMBL29537331 0.88 JAK3 (0.49) KDRDDR2JAK3JAK2JAK1
SCHEMBL24393252 0.87 JAK3 (0.45) SYKMERTKJAK3JAK2JAK1
Pebezertinib SCHEMBL29538098 0.87 JAK3 (0.44) KDRDDR2MERTKAURKBJAK3
SCHEMBL29250603 0.85 GSK3B (0.47) SYKKDRDDR2MERTKAURKB
SCHEMBL29537447 0.85 GSK3B (0.47) SYKKDRDDR2MERTKAURKB
SCHEMBL24393188 0.84 JAK2 (0.46) SYKMERTKJAK3JAK2JAK1
SCHEMBL29537096 0.83 MERTK (0.42) KDRMERTKAURKBJAK3JAK2
SCHEMBL24393097 0.83 DDR2 (0.47) KDRDDR2MERTKAURKBJAK3
Pebezertinib SCHEMBL24392854 0.83 JAK3 (0.54) KDRDDR2MERTKAURKBJAK3
SCHEMBL29537623 0.83 DDR2 (0.47) KDRDDR2MERTKAURKBJAK3

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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