SCHEMBL30965381

SCHEMBL30965381

CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5cnn(C)c5)n4)cc3Cl)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.68
JAK2 O60674 3/20 0.57
JAK3 P52333 3/20 0.57
JAK1 P23458 2/20 0.57
TYK2 P29597 2/20 0.57
ALK Q9UM73 5/20 0.56
CDK19 Q9BWU1 1/20 0.56
INSR P06213 3/20 0.55
IGF1R P08069 3/20 0.55
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51

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
SCHEMBL30965374 0.92 EGFR (0.70) EGFRALKINSRIGF1R
SCHEMBL30556273 0.88 EGFR (0.75) EGFRJAK2JAK3JAK1TYK2
SCHEMBL22104574 0.88 EGFR (0.75) EGFRJAK2JAK3JAK1TYK2
SCHEMBL30965380 0.87 EGFR (0.67) EGFRJAK2JAK3JAK1TYK2
SCHEMBL30965394 0.86 ALK (0.69) EGFRJAK2JAK3JAK1TYK2
SCHEMBL26875434 0.84 JAK2 (0.65) EGFRJAK2JAK3JAK1TYK2
SCHEMBL30965382 0.82 ALK (0.82) EGFRJAK2JAK3JAK1TYK2
SCHEMBL30556299 0.78 EGFR (0.60) EGFRJAK2JAK3JAK1TYK2
SCHEMBL22104389 0.78 EGFR (0.60) EGFRJAK2JAK3JAK1TYK2
SCHEMBL22104578 0.77 EGFR (0.62) EGFRJAK2JAK3JAK1TYK2

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
CN-118221696-A Pyrimidine heterocyclic compound containing N-methylpiperazine structure, and preparation method and application thereof 潍坊医学院 2024-06-21 CN disclosed