SCHEMBL2450289

SCHEMBL2450289

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCCN3CCOCC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.57
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ BCL3 P20749 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL4611567 0.89 MAPK14 (0.44) MAPK14TSHRKMT2AALDH1A1MAPK10
SCHEMBL2448328 0.88 MAPK14 (0.61) MAPK14MCHR1PKM
SCHEMBL2445182 0.84 MAPK14 (0.73) MAPK14KMT2AMCHR1ALDH1A1KDM4E
SCHEMBL5296558 0.84 MAPK14 (0.62) MAPK14KMT2AMCHR1ALDH1A1KDM4E
SCHEMBL2445975 0.83 MAPK14 (0.49) MAPK14TSHRKMT2AALDH1A1KDM4E
SCHEMBL2443328 0.82 MAPK14 (0.81) MAPK14MCHR1ALDH1A1
SCHEMBL31371552 0.82 MAPK14 (0.81) MAPK14MCHR1ALDH1A1
SCHEMBL2443317 0.80 MAPK14 (0.63) MAPK14LMNATSHRKMT2AMCHR1
SCHEMBL2446092 0.79 MAPK14 (0.56) MAPK14LMNATSHRMCHR1IRAK4
SCHEMBL2450576 0.79 MAPK14 (0.59) MAPK14LMNAMCHR1ALDH1A1KDM4E

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-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 — — US disclosed
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