SCHEMBL28623585

SCHEMBL28623585

CC(C)c1c(C(=O)O)cnc2c(-c3cccc(F)c3F)c(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.38
▸ BRS3 P32247 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28629447 0.89 DHODH (0.38) DHODHBRS3PIK3CDPIK3CGALDH1A1
SCHEMBL19463318 0.88 DHODH (0.37) DHODHBRS3ALDH1A1KDM4EHPGD
SCHEMBL19463668 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28615710 0.83 BRS3 (0.35) DHODHBRS3ALDH1A1KDM4EHPGD
SCHEMBL24455511 0.80 MAPT (0.42) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28619820 0.80 MAPT (0.38) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28620031 0.77 DCLRE1B (0.43) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20768145 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL30439174 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL20782378 0.71 MAPT (0.44) ALDH1A1KDM4EHPGDMAPTPOLB

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-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 — — CN disclosed
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