SCHEMBL28980974

SCHEMBL28980974

C=CC(=O)Nc1ccc(CCNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.73
MAP3K7 O43318 6/20 0.68
MAP2K1 Q02750 4/20 0.68
SRC P12931 2/20 0.68
MAPK1 P28482 2/20 0.68
FGFR1 P11362 1/20 0.68
BTK Q06187 2/20 0.64
JAK2 O60674 3/20 0.61
EGFR P00533 3/20 0.61
BLK P51451 3/20 0.61
BMX P51813 1/20 0.61
FLT3 P36888 3/20 0.61
JAK1 P23458 3/20 0.60
TTK P33981 2/20 0.60
TXK P42681 1/20 0.57
ITK Q08881 1/20 0.57

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
SCHEMBL17209773 0.91 JAK3 (0.83) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL28981003 0.91 JAK3 (0.60) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL28980965 0.88 MAP3K7 (0.81) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL18440651 0.85 ALK (0.74) JAK3MAP3K7SRCFGFR1JAK2
SCHEMBL17209811 0.84 JAK3 (1.00) JAK3BTKJAK2EGFRBLK
SCHEMBL18501686 0.82 JAK3 (0.85) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL28981015 0.82 JAK3 (0.69) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL31684778 0.82 BTK (0.80) JAK3MAP3K7MAP2K1SRCMAPK1
SCHEMBL17209772 0.82 JAK3 (1.00) JAK3BTKJAK2EGFRJAK1
SCHEMBL28980968 0.82 BTK (0.80) JAK3MAP3K7MAP2K1SRCMAPK1

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
EP-4617261-A1 2,4,5-TRISUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Wenzhou Medical University (CN) 2025-09-17 EP claimed
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN claimed
EP-4617261-A1 2,4,5-TRISUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Wenzhou Medical University (CN) 2025-09-17 EP disclosed
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN disclosed