SCHEMBL30971191

SCHEMBL30971191

Cn1ncc2c(Br)cc(C#N)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE2A O00408 2/20 0.36
TP53 P04637 1/20 0.35
BCDIN3D Q7Z5W3 6/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A2 O94788 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PIM1 P11309 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL20030771 1.00 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29786789 0.76 KMT2A (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL19953294 0.76 KMT2A (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30971118 0.74 PIM1 (0.32) KDM4EALDH1A1PIM1HRH4
SCHEMBL30971203 0.74 PIM1 (0.34) PIM1
SCHEMBL20030772 0.72 BCDIN3D (0.32) PDE2ATP53BCDIN3D
SCHEMBL30971302 0.70 CYP11B2 (0.32) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL18585253 0.69 MEN1 (0.40) MEN1KMT2ATP53ABL1PIM1
SCHEMBL22337069 0.68 CYP11B2 (0.33) MAPTTP53
SCHEMBL30971110 0.68

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
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 WO disclosed