SCHEMBL27110552

SCHEMBL27110552

Clc1nccc(-c2cn3ccnc3cn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
DYRK1A Q13627 2/20 0.35
KEAP1 Q14145 1/20 0.35
TGFBR1 P36897 3/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
APP P05067 1/20 0.31
GRM2 Q14416 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL18171776 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL13336494 0.71 NPC1 (0.51) DYRK1ATGFBR1RAB9ANPC1KDM4E
SCHEMBL18732354 0.71 DYRK1A (0.41) DYRK1AKEAP1TGFBR1MEN1CYP1A2
SCHEMBL1542371 0.70 CHEK1 (0.49) DYRK1ATGFBR1KMT2ARAB9ANPC1
SCHEMBL21644144 0.70 DYRK1A (0.59) DYRK1AKEAP1TGFBR1MEN1CYP1A2
SCHEMBL11266549 0.70 DYRK1A (0.40) DYRK1AKEAP1TGFBR1MEN1CYP1A2
SCHEMBL20987177 0.70 DYRK1A (0.53) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL24181926 0.70 TGFBR1 (0.39) DYRK1AKEAP1TGFBR1MEN1CYP1A2
SCHEMBL19368022 0.70 TGFBR1 (0.37) DYRK1AKEAP1TGFBR1MEN1KMT2A
SCHEMBL30029521 0.69 DYRK1A (0.41) DYRK1AKEAP1TGFBR1MEN1CYP1A2

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
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed