SCHEMBL28435361

SCHEMBL28435361

CC(=O)c1ccc(NC(=O)N2CCN(c3nc(Nc4ccccc4N4CCOCC4)ncc3N)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.63
▸ FLT3 P36888 6/20 0.63
▸ PIK3R1 P27986 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ FGFR4 P22455 1/20 0.46
▸ GOT1 P17174 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL28443652 0.91 JAK2 (0.64) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28443297 0.88 JAK2 (0.60) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28443648 0.88 JAK2 (0.60) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL24426171 0.88 JAK2 (0.81) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28442567 0.85 PIK3R1 (0.67) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28442731 0.84 JAK2 (0.77) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28442021 0.84 POLB (0.45) MTORALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL28434562 0.81 JAK2 (0.52) JAK2FLT3ALDH1A1FGFR4MAPT
SCHEMBL28445184 0.80 JAK2 (0.58) JAK2FLT3PIK3R1PIK3CAMTOR
SCHEMBL28434570 0.80 JAK2 (0.51) JAK2FLT3PIK3R1PIK3CAMTOR

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
Send feedback