SCHEMBL2446702

SCHEMBL2446702

CN(C)CCNC(=O)c1cc2c(cnn2C)cc1Oc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.62
▸ AXL P30530 1/20 0.47
▸ SCN9A Q15858 1/20 0.45
▸ HIPK4 Q8NE63 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAD52 P43351 3/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ UHRF1 Q96T88 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SMARCA2 P51531 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
SCHEMBL2443328 0.87 MAPK14 (0.81) MAPK14AXLHIPK4SMN1; SMN2ALDH1A1
SCHEMBL31371552 0.87 MAPK14 (0.81) MAPK14AXLHIPK4SMN1; SMN2ALDH1A1
SCHEMBL4610007 0.85 MAPK14 (0.46) MAPK14AXLSCN9AHIPK4SMN1; SMN2
SCHEMBL2445182 0.82 MAPK14 (0.73) MAPK14AXLSCN9AHIPK4ALDH1A1
SCHEMBL3095955 0.81 HIPK4 (0.49) MAPK14AXLSCN9AHIPK4PTGER4
SCHEMBL2450395 0.80 MAPK14 (0.49) MAPK14AXLSMN1; SMN2ALDH1A1RAD52
SCHEMBL31371595 0.79 MAPK14 (0.72) MAPK14AXLALDH1A1RAD52UHRF1
SCHEMBL31371686 0.77 MAPK14 (0.85) MAPK14AXLSMN1; SMN2ALDH1A1RAD52
Arry-797 SCHEMBL31046796 0.77 MAPK14 (1.00) MAPK14SMN1; SMN2ALDH1A1RAD52CCNT1
Arry-797 SCHEMBL29349798 0.77 MAPK14 (1.00) MAPK14SMN1; SMN2ALDH1A1RAD52CCNT1

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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