SCHEMBL2443317

SCHEMBL2443317

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCCN(C)c3ccccc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.63
▸ MAPT P10636 7/20 0.43
▸ LMNA P02545 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MCHR2 Q969V1 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL2445182 0.90 MAPK14 (0.73) MAPK14KDM4EALDH1A1MEN1KMT2A
SCHEMBL4608883 0.89 MAPK14 (0.49) MAPK14MAPTLMNAPOLBALOX15
SCHEMBL31371552 0.87 MAPK14 (0.81) MAPK14ALDH1A1MCHR1MCHR2SMN1; SMN2
SCHEMBL2443328 0.87 MAPK14 (0.81) MAPK14ALDH1A1MCHR1MCHR2SMN1; SMN2
SCHEMBL5296558 0.86 MAPK14 (0.62) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL2450576 0.83 MAPK14 (0.59) MAPK14LMNAKDM4EALDH1A1MCHR1
SCHEMBL2448328 0.80 MAPK14 (0.61) MAPK14MCHR1SCN9AMCHR2
SCHEMBL2450289 0.80 MAPK14 (0.57) MAPK14MAPTLMNAALOX15TSHR
SCHEMBL31371520 0.80 MAPK14 (0.70) MAPK14KDM4EALDH1A1HSD17B10MCHR1
SCHEMBL2446126 0.80 MAPK14 (0.56) MAPK14MCHR1MCHR2

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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