SCHEMBL30971129

SCHEMBL30971129

COC(=O)c1cc(Br)c2c(cnn2C)c1.COC(=O)c1cc(Br)c2nn(C)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK10 P53779 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20604894 0.88 ALDH1A1 (0.42) PSMD14ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL1144987 0.73 KDM4E (0.44) PSMD14ALDH1A1KDM4EKMT2ARXFP1
SCHEMBL29046616 0.73 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2APOLB
SCHEMBL1144666 0.73 KDM4E (0.44) PSMD14ALDH1A1KDM4EKMT2ARXFP1
SCHEMBL31662269 0.73 TTR (0.43) SMN1; SMN2KMT2APOLBTSHR
SCHEMBL22939496 0.73 ALDH1A1 (0.41) PSMD14ALDH1A1KDM4EMAPK10KMT2A
SCHEMBL20604815 0.72 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL20604751 0.72 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL31662195 0.71 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2KMT2APOLB
SCHEMBL31662290 0.69 USP2 (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2ANPSR1

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