SCHEMBL28434553

SCHEMBL28434553

Cc1cc(N2CCN(C(N)=O)CC2)nc(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ IGF1R P08069 1/20 0.56
▸ JAK2 O60674 4/20 0.55
▸ FLT3 P36888 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NR4A1 P22736 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ AURKA O14965 3/20 0.52
▸ RGS12 O14924 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SLC2A1 P11166 2/20 0.48
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL24426177 0.84 JAK2 (0.76) MAPTMAPK1TP53IGF1RJAK2
SCHEMBL29669890 0.83 JAK2 (0.75) JAK2FLT3AURKASYK
SCHEMBL28437339 0.83 JAK2 (0.75) JAK2FLT3AURKASYK
SCHEMBL28434558 0.83 PIK3CD (0.53) MAPTMAPK1TP53ALDH1A1KMT2A
SCHEMBL22860800 0.82 JAK2 (0.59) MAPTMAPK1TP53IGF1RJAK2
SCHEMBL12486039 0.79 MAPT (0.67) MAPTMAPK1TP53IGF1RKDM4E
SCHEMBL28434556 0.78 TAAR1 (0.53) —
SCHEMBL28441100 0.78 JAK2 (0.61) JAK2FLT3SYK
SCHEMBL12485812 0.77 MAPT (0.64) MAPTMAPK1TP53IGF1RKDM4E
SCHEMBL30839088 0.77 JAK2 (0.64) JAK2FLT3AURKASYK

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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