SCHEMBL30971302

SCHEMBL30971302

Cn1ncc2cc(Br)c(C#N)nc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.32
TP53 P04637 1/20 0.32
ABL1 P00519 1/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 2/20 0.30
BCDIN3D Q7Z5W3 2/20 0.30
KDM1A O60341 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24597613 0.78 ALDH1A1 (0.33) MAPTKDM4EMEN1ALDH1A1MAPK1
SCHEMBL31662367 0.77 KDM1A (0.31) CYP11B2KDM1A
SCHEMBL21639451 0.75 XDH (0.32)
SCHEMBL25386715 0.73 MEN1 (0.33) MAPTKDM4EMEN1ALDH1A1MAPK1
SCHEMBL16887703 0.70 TP53 (0.43) CYP11B2TP53
SCHEMBL22337069 0.70 CYP11B2 (0.33) CYP11B2TP53MAPTKDM1A
SCHEMBL25383893 0.70 MEN1 (0.34) MAPTKDM4EMEN1ALDH1A1MAPK1
SCHEMBL30971191 0.70 MEN1 (0.37) TP53ABL1KDRMAPTBCDIN3D
SCHEMBL20030771 0.70 MEN1 (0.37) TP53ABL1KDRMAPTBCDIN3D
SCHEMBL23357368 0.69 ALDH1A1 (0.41) TP53MAPTBCDIN3DKDM4EALDH1A1

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