SCHEMBL28623625

SCHEMBL28623625

CC(C)c1c(C(=O)O)cnc2c(-c3ccc(F)c(F)c3)c(N=C(c3ccccc3)c3ccccc3)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ MAPK8 P45983 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ BRD4 O60885 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
SCHEMBL19463283 0.89 MAPT (0.44) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28624802 0.87 KMT2A (0.37) MAPTMEN1KMT2AL3MBTL1KMO
SCHEMBL28615710 0.84 BRS3 (0.35) MAPTDHODHMEN1KMT2AL3MBTL1
SCHEMBL20782378 0.81 MAPT (0.44) MAPTADORA1ALDH1A1POLBAKR1C3
SCHEMBL28619820 0.81 MAPT (0.38) MAPTDHODHADORA1ALDH1A1AKR1C3
SCHEMBL28618955 0.81 AKR1C3 (0.37) MAPTDHODHADORA1MEN1KMT2A
SCHEMBL20768139 0.81 KDM4E (0.39) MAPTDHODHADORA1ALDH1A1AKR1C3
SCHEMBL19492764 0.71 USP7 (0.33) MAPTPOLBLMNATP53
SCHEMBL24455511 0.70 MAPT (0.42) MAPTDHODHMEN1KMT2AL3MBTL1
SCHEMBL22280894 0.70 KDM4E (0.57) MAPTMEN1KMT2AALDH1A1POLB

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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