SCHEMBL11269173

SCHEMBL11269173

O=C(CN1CCNCC1CC(F)(F)F)Nc1nc2cc3nc(NC(=O)CN4CCNCC4CC(F)(F)F)sc3cc2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 6/20 0.40
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL11254392 0.83 SMN1; SMN2 (0.43) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11270259 0.79 ALDH1A1 (0.43) CLK1GFERL3MBTL1ALDH1A1HTT
SCHEMBL11261033 0.79 CSNK1D (0.48) MAPTCSNK1D
SCHEMBL11251039 0.76 CLK1 (0.57) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11269176 0.73 CLK1 (0.56) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11252930 0.73 CLK1 (0.41) CLK1L3MBTL1ALDH1A1HTTPOLB
SCHEMBL11256488 0.72 ALDH1A1 (0.53) CLK1L3MBTL1ALDH1A1HTTPOLB
SCHEMBL11265296 0.71 TERT (0.48) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11265331 0.70 KDM4E (0.62) CLK1ALDH1A1HTTPOLBKMT2A
SCHEMBL11269060 0.70 KMT2A (0.51) CLK1L3MBTL1ALDH1A1HTTPOLB

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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