SCHEMBL30829470

SCHEMBL30829470

COC(=O)c1ccnn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(SC(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.35
WDR5 P61964 2/20 0.35
BTK Q06187 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
CTSA P10619 1/20 0.33
PPARD Q03181 1/20 0.33
MCHR1 Q99705 3/20 0.32
PTPN1 P18031 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
OXTR P30559 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL20214101 0.85 F2RL3 (0.35) MYCWDR5BTKDHODHKDM4E
SCHEMBL20214102 0.84 DYRK3 (0.35) MYCWDR5BTKKDM4EMEN1
SCHEMBL18282149 0.81 ALDH1A1 (0.34) MYCWDR5DHODHKDM4EMEN1
SCHEMBL20214050 0.80 KDM4E (0.35) MYCWDR5ALOX5PTGS2DHODH
SCHEMBL20214527 0.79 F2RL3 (0.33) MYCWDR5DHODHKDM4EMEN1
SCHEMBL28347074 0.78 AKR1C3 (0.36) MYCWDR5KDM4EMEN1KMT2A
SCHEMBL18282157 0.77 NPC1 (0.35) MYCWDR5DHODHKDM4EMEN1
SCHEMBL20214040 0.77 MYC (0.31) MYCWDR5F2RL3
SCHEMBL29231587 0.76 PTGER1 (0.38) MYCWDR5ALOX5PTGS2DHODH
SCHEMBL18282276 0.75 KDM4E (0.36) PTGS2DHODHKDM4EMEN1MAPT

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-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed