SCHEMBL28443296

SCHEMBL28443296

CC(=O)c1ccc(NC(=O)N2CCN(c3nc(Nc4ccc(C5CNCCO5)cc4)ncc3C(F)(F)F)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ PTK2 Q05397 1/20 0.51
▸ SLC6A3 Q01959 2/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.49
▸ JAK3 P52333 2/20 0.48

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
SCHEMBL28443651 0.90 JAK2 (0.56) JAK2FLT3TAAR1
SCHEMBL28435360 0.89 JAK2 (0.56) JAK2FLT3
SCHEMBL28443646 0.86 JAK2 (0.53) JAK2FLT3
SCHEMBL28897516 0.86 PTK2 (0.60) PTK2JAK3
SCHEMBL28442728 0.83 JAK2 (0.67) JAK2FLT3SLC6A3TAAR1
SCHEMBL24426180 0.82 JAK2 (0.77) JAK2FLT3PTK2JAK3
SCHEMBL28442566 0.82 PIK3R1 (0.53) JAK2FLT3TAAR1
SCHEMBL28442721 0.80 FGFR4 (0.58) SLC6A3KCNH2TAAR1
SCHEMBL28439357 0.80 JAK2 (0.51) JAK2FLT3
SCHEMBL28445183 0.80 TAAR1 (0.54) JAK2FLT3SLC6A3KCNH2TAAR1

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-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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