SCHEMBL28445171

SCHEMBL28445171

CC(=O)c1ccc(NC(=O)NC2CN(c3nc(Nc4ccccc4N4CCOCC4)ncc3C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 5/20 0.49
▸ PIK3CA P42336 5/20 0.49
▸ MTOR P42345 5/20 0.49
▸ JAK2 O60674 3/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ JAK3 P52333 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FGFR4 P22455 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL28896923 0.95 PIK3CA (0.47) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL24426189 0.88 JAK2 (0.59) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL28440872 0.85 JAK2 (0.48) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL28443652 0.85 JAK2 (0.64) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL28679840 0.83 JAK2 (0.57) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL29670019 0.83 JAK2 (0.57) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL28434570 0.81 JAK2 (0.51) PIK3R1PIK3CAMTORJAK2FLT3
SCHEMBL28442707 0.79 JAK2 (0.49) JAK2FLT3JAK3ALDH1A1MAPK9
SCHEMBL28434562 0.79 JAK2 (0.52) JAK2FLT3JAK3ALDH1A1MAPK9
SCHEMBL28451619 0.75 MAPK9 (0.48) MTORJAK2JAK3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN claimed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN claimed
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN disclosed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN disclosed
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