SCHEMBL31684788

SCHEMBL31684788

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.78
SRC P12931 2/20 0.74
BTK Q06187 3/20 0.72
EGFR P00533 4/20 0.69
JAK3 P52333 2/20 0.69
ITK Q08881 1/20 0.68
TEC P42680 1/20 0.68
SLK Q9H2G2 1/20 0.68
JAK2 O60674 1/20 0.67
JAK1 P23458 1/20 0.67
BRD2 P25440 1/20 0.67
BRD3 Q15059 1/20 0.67
BRDT Q58F21 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
SCHEMBL18371448 1.00 BRD4 (0.78) BRD4SRCBTKEGFRJAK3
SCHEMBL28980990 0.93 SRC (0.69) BRD4SRCBTKEGFRJAK3
SCHEMBL18371442 0.91 EGFR (0.79) BRD4SRCBTKEGFRITK
SCHEMBL31684778 0.91 BTK (0.80) BRD4SRCBTKEGFRJAK3
SCHEMBL28980968 0.91 BTK (0.80) BRD4SRCBTKEGFRJAK3
SCHEMBL18371455 0.91 EGFR (0.79) BRD4SRCBTKEGFRJAK3
SCHEMBL28980983 0.90 EGFR (0.72) BRD4SRCBTKEGFRJAK3
SCHEMBL31684784 0.90 EGFR (0.72) BRD4SRCBTKEGFRJAK3
SCHEMBL18371443 0.89 SRC (0.67) BRD4SRCBTKEGFRJAK3
SCHEMBL265060 0.88 BRD4 (0.82) BRD4JAK3JAK2JAK1BRD2

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