SCHEMBL31684778

SCHEMBL31684778

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.80
JAK3 P52333 4/20 0.79
SRC P12931 4/20 0.76
MAP3K7 O43318 2/20 0.76
FGFR1 P11362 1/20 0.76
MAPK1 P28482 1/20 0.76
MAP2K1 Q02750 1/20 0.76
EGFR P00533 5/20 0.76
JAK2 O60674 1/20 0.76
BLK P51451 1/20 0.76
BMX P51813 1/20 0.76
ALK Q9UM73 1/20 0.69
TEC P42680 1/20 0.68
SLK Q9H2G2 1/20 0.68
BRD4 O60885 4/20 0.67
CCNT1 O60563 1/20 0.67
CCNK O75909 1/20 0.67
CYP3A4 P08684 1/20 0.67
CCND3 P30281 1/20 0.67
CDK9 P50750 1/20 0.67

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
SCHEMBL28980968 1.00 BTK (0.80) BTKJAK3SRCMAP3K7FGFR1
SCHEMBL28980965 0.93 MAP3K7 (0.81) BTKJAK3SRCMAP3K7FGFR1
SCHEMBL31684788 0.91 BRD4 (0.78) BTKJAK3SRCEGFRJAK2
SCHEMBL18371448 0.91 BRD4 (0.78) BTKJAK3SRCEGFRJAK2
SCHEMBL31684784 0.90 EGFR (0.72) BTKJAK3SRCEGFRJAK2
SCHEMBL28980983 0.90 EGFR (0.72) BTKJAK3SRCEGFRJAK2
SCHEMBL31684777 0.90 MAP3K7 (0.80) BTKJAK3SRCMAP3K7FGFR1
SCHEMBL28980982 0.90 MAP3K7 (0.80) BTKJAK3SRCMAP3K7FGFR1
SCHEMBL10127962 0.89 BTK (1.00) BTKJAK3SRCMAP3K7FGFR1
SCHEMBL31684766 0.89 MAP3K7 (0.73) BTKJAK3SRCMAP3K7FGFR1

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 1 patent. 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